西吡氯铵

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

西吡氯铵 基本信息

中文名称:
西吡氯铵 
中文别名:
西吡氯铵;
氯化-N-十六烷基吡啶翁盐;
1-十六烷基吡啶氯化物;
氯化十六烷基吡啶;
盐酸芬司匹利 
英文名称:
HexadecylPyridinium chloride
英文别名:
cetylpyridinium chloride;
1-HEXADECYL-PYRIDINIUM,CHLORIDE;
Aktivex;
N-cetyl-pyridinium chloride;
1-Hexadecylpyridinium chloride;
1-hexadecylpyridinum chloride;
1-hexadecylpyridin-1-ium,chloride;
Pristacin;
Pyrisept;
Dobendan;
Ceepryn chloride;
hexadecylpyridinium chloride;
N-hexadecylpyridinium chloride;
Biosept;
Cetylpyridinium Chloride;
Cetamium 
CAS No.:
123-03-5
分 子 式:
C21H38ClN
分 子 量:
339.99
精确分子量:
339.26900
PSA:
3.88000
EINECS:
204-593-9
InChI:
InChI=1/C21H38N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;2*1H/q+1;;/p-2
分子结构式:
SDS:
查看

西吡氯铵 制备方法及用途

制备方法

在48mlSOCl2和0.3gHCON(CH3) 2的混合物中,搅拌下控制温度30-35℃,滴入81g十六醇。滴毕,混合物煮沸30min,冷却,蒸馏得138-140℃(压力270Pa)馏分,为氯代十六烷,收率92.2%。将80g氯代十六烷和32g干吡啶油浴加热到150-160℃,反应12-15h,反应毕,加入80ml干丙酮,混合物水浴加热溶解后再冷却得994%收率的产品。熔点为87-88℃。

合成制备方法

        在48mlSOCl2和0.3gHCON(CH3) 2的混合物中,搅拌下控制温度30-35℃,滴入81g十六醇。滴毕,混合物煮沸30min,冷却,蒸馏得138-140℃(压力270Pa)馏分,为氯代十六烷,收率92.2%。将80g氯代十六烷和32g干吡啶油浴加热到150-160℃,反应12-15h,反应毕,加入80ml干丙酮,混合物水浴加热溶解后再冷却得994%收率的产品。熔点为87-88℃。

用途简介

消毒防腐药。

用途

        该产品属于含氮阳离子表面活性剂,主要用作杀菌消毒剂。在同等使用条件下,该产品对异养菌、铁细菌和硫酸盐还原菌的杀灭率均优于十二烷基二甲基苯甲基氯化铵、十二烷基二甲基苯甲基溴化铵及其他常用的季铵盐杀菌剂,例如在10mg/L的用量下,本品对异养菌、铁细菌和硫酸盐还原菌的杀灭率分别为99.9%,99.9%%和99.99%。本品可用于工业水处理系统的杀菌灭藻、黏泥剥离和系统清洗。在使用过程中,本品与洁尔灭等其他季铵盐杀菌剂一样,具有同样的注意事项,例如起泡,和其他阴离子物质的缔和、沉降等问题。使用时可采用冲击式投料,一般使用浓度为20-80mg/L。

西吡氯铵 物化性质

外观与性状:
白色粉末或晶体
熔点:
77°C
存储条件/存储方法:
库房低温通风干燥
稳定性相关:

        1%的水溶液的pH为6.0-7.0。强力振荡其水溶液会产生丰富的泡沫。具有良好的表面活性和杀菌消毒性能。

其它信息:

1.性状:白色固体,常带一分子的结晶水。

2.熔点:77-83℃。

3.溶解度:极易溶于水、乙醇,可溶于氯仿,几乎不溶于苯、乙醚。

西吡氯铵 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
2933399090

西吡氯铵 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU4900000
CHEMICAL NAME :
Pyridinium, 1-hexadecyl-, chloride
CAS REGISTRY NUMBER :
123-03-5
LAST UPDATED :
199710
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C21-H38-N.Cl
MOLECULAR WEIGHT :
340.05
WISWESSER LINE NOTATION :
T6KJ A16 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
33NFA8 "Animal Models in Dermatology: Relevance to Human Dermatopharmacology and Dermatotoxicology," Maibach, H., ed., New York, Churchill Livingston, 1975 Volume(issue)/page/year: -,2,1975
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,137,1968
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 31,471,1980
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 mg/m3/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 29,851,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
108 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,511,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JBSTBI Journal of Biological Standardization. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1973- Volume(issue)/page/year: 1,87,1973
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,544,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966 *** REVIEWS *** TOXICOLOGY REVIEW ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 32,245,1974 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84321 No. of Facilities: 113 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2878 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84321 No. of Facilities: 999 (estimated) No. of Industries: 4 No. of Occupations: 13 No. of Employees: 132865 (estimated) No. of Female Employees: 118474 (estimated)
毒理学数据:

        黑鼠经口急性毒性LD50为200mg/kg。贮运 固体用纤维桶包装,应避免与强氧化性及阴离子表面活性剂接触。

西吡氯铵 MSDS

Name: Cetylpyridinium chloride Material Safety Data Sheet
Synonym: 1-Hexadecylpyridinium chloride; CPC
CAS: 123-03-5
Section 1 - Chemical Product   MSDS Name:Cetylpyridinium chloride Material Safety Data Sheet
Synonym:1-Hexadecylpyridinium chloride; CPC

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
123-03-5 Pyridinium, 1-hexadecyl-, chloride >95 204-593-9
Hazard Symbols: T+ N
Risk Phrases: 25 26 36/37/38 50/53

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed. Very toxic by inhalation. Irritating to eyes, respiratory system and skin. Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May be fatal if inhaled. Dust is irritating to the respiratory tract.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water.
Remove contaminated clothing and shoes. Get medical aid. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
POISON material. If inhaled, get medical aid immediately. Remove victim to fresh air. If not breathing, give artificial respiration.
If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Evacuate unnecessary personnel. Approach spill from upwind.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not breathe dust. Do not breathe spray or mist. Use only with adequate ventilation or respiratory protection.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 123-03-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: characteristic odor
pH: 5.2 (10g/l H2O)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 234 deg C
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C21H38ClN
Molecular Weight: 339.98

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 123-03-5: UU4900000 LD50/LC50:
CAS# 123-03-5: Draize test, rabbit, eye: 1%; Draize test, rabbit, eye: 100 mg; Draize test, rabbit, skin: 50 mg/24H Moderate; Inhalation, rat: LC50 = 90 mg/m3/4H; Oral, mouse: LD50 = 108 mg/kg; Oral, rabbit: LD50 = 400 mg/kg; Oral, rat: LD50 = 200 mg/kg.
Sensitization test (guinea pig): negative.
Carcinogenicity:
Pyridinium, 1-hexadecyl-, chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Carp: 0.01 mg/l; 96 h; LC50

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
IMO
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
RID/ADR
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+ N
Risk Phrases:
R 25 Toxic if swallowed.
R 26 Very toxic by inhalation.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 50/53 Very toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 123-03-5: 3
Canada
CAS# 123-03-5 is listed on Canada's DSL List.
CAS# 123-03-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 123-03-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

西吡氯铵 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

西吡氯铵 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:15

5.互变异构体数量:无

6.拓扑分子极性表面积3.9

7.重原子数量:23

8.表面电荷:0

9.复杂度:208

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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联系人:郑先生 电话:18971353902 手机:18971353902

武汉卡诺斯科技有限公司

产品介绍:
产品名称:西吡氯铵 Cas号:123-03-5 纯度:99% 包装信息:25千克 价格:62.0元
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联系人:尚文 电话:153-37111468 手机:15337111468

上海吉至生化科技有限公司

产品介绍:
产品名称:氯代十六烷基吡啶 Cas号:123-03-5 纯度:97% 包装信息:100gea,25gea,5gea 价格:37.0元 - 294.0元
联系方式:
联系人:江珊 电话:021-57520831 手机:15316869680

浙江汇力药业有限公司

产品介绍:
产品名称:西吡氯胺 Cas号:123-03-5 纯度: 包装信息:10/桶kg 价格:洽谈
联系方式:
联系人:杨锋锋 电话:0571-85450076 手机:13968036484

杭州林然生物科技有限公司

产品介绍:
产品名称:西吡氯铵 Cas号:123-03-5 纯度:98% 包装信息:洽谈 价格:洽谈
联系方式:
联系人:高 电话:13738142397 手机:18067987892