1-(3-氯苯基)哌嗪盐酸盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品

1-(3-氯苯基)哌嗪盐酸盐 基本信息

中文名称:
1-(3-氯苯基)哌嗪盐酸盐 
中文别名:
1-(3-氯苯基)哌嗪盐酸盐;
1-(3-氯苯基)哌嗪单盐酸盐 
英文名称:
Chlorophenylpiperazinehydrochloride; 98%
英文别名:
1-(3-Chlorophenyl)piperazine hydrochloride;
1-(3-Chlorophenyl)piperazinehydrochloride;
N-(M-Chlorophenyl)piperazine Hydrochloride;
1-(m-chlorophenyl)piperazine monohydrochloride;
Chlorophenylpiperazinehydrochloride;
1-(3-chlorophenyl)-piperazinmonohydrochloride;
3-Chlorophenylpiperazine hydrochloride;
1-(m-chlorophenyl)-piperazinmonohydrochloride;
1-(3-Chlorophenyl)piperazine monohydrochloride;
1-(3-Chlorophenyl)piperazinium chloride;
1-(3-Chlorophehyl)piperazine.hydrochloride;
1-m-chlorophenylpiperazine hydrochloride;
1-(3-Chlorophenyl)-piperazine HCl;
1-(3-Chlorophenyl)Piperazine Hydrochloride;
4-(3-Chlorophenyl)piperazine Hydrochloride;
1-(3-chloro-phenyl)-piperazine hydrochloride;
m-Chlorophenylpiperazine hydrochloride 
CAS No.:
13078-15-4
分 子 式:
C10H14Cl2N2
分 子 量:
233.14
精确分子量:
232.05300
PSA:
15.27000
MDL:
MFCD00012764
EINECS:
235-976-9
BRN:
4768691
InChI:
The Key: MHXPYWFZULXYHT-UHFFFAOYSA-N
风险术语:
R25; R36/37/38;
安全术语:
S26; S36/37/39; S45;
分子结构式:
SDS:
查看

1-(3-氯苯基)哌嗪盐酸盐 物化性质

外观与性状:
白色粉末
熔点:
212-214ºC
沸点:
336.4ºC at 760 mmHg
闪点:
157.2ºC
蒸汽压:
0.000112mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.       性状:白色粉末

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):212-214

5.       沸点(ºC,常压):未确定

6.       沸点(ºC10mmHg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:可溶于水

1-(3-氯苯基)哌嗪盐酸盐 安全信息

包装等级:
III
风险类别:
6.1
海关代码:
2933599090
危险类别码:
R25;R36/37/38
安全说明:
S26-S36/37/39-S45

1-(3-氯苯基)哌嗪盐酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL2833500
CHEMICAL NAME :
Piperazine, 1-(3-chlorophenyl)-, monohydrochloride
CAS REGISTRY NUMBER :
13078-15-4
LAST UPDATED :
199706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H13-Cl-N2.Cl-H
MOLECULAR WEIGHT :
233.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
500 ug/kg
TOXIC EFFECTS :
Behavioral - headache Gastrointestinal - nausea or vomiting
REFERENCE :
CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960- Volume(issue)/page/year: 43,605,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
142 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - tremor
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17(Suppl 5),S1247,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Lungs, Thorax, or Respiration - pleural thickening
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17(Suppl 5),S1247,1989
毒理学数据:

1.        急性毒性:女人口服TDLo500ug/kg;大鼠口服LD50142mg/kg;大鼠腹腔LD5036mg/kg

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

1-(3-氯苯基)哌嗪盐酸盐 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      1-(3-Chlorophenyl)piperazine, HCl    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        1-(3-Chlorophenyl)piperazine, HCl    
    CAS number:        13078-15-4    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C10H14Cl2N2
    Molecular weight: 233.1

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-(3-氯苯基)哌嗪盐酸盐 海关数据

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(3-氯苯基)哌嗪盐酸盐 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:54.70

2、   摩尔体积(m3/mol):169.6

3、   等张比容(90.2K):426.1

4、   表面张力(dyne/cm):39.7

5、   极化率10-24cm3):21.68

计算化学数据

1、   氢键供体数量:2

2、   氢键受体数量:2

3、   可旋转化学键数量:1

4、   拓扑分子极性表面积(TPSA):15.3

5、   重原子数量:14

6、   表面电荷:0

7、   复杂度:157

8、   同位素原子数量:0

9、   确定原子立构中心数量: 0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:2

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