盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐

  • 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

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 基本信息

中文名称:
盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 
中文别名:
DL-苯丙醇胺盐酸盐;
盐酸苯丙醇胺 
英文名称:
Benzenemethanol, a-[(1R)-1-aminoethyl]-,hydrochloride (1:1), (aS)-rel-
英文别名:
DL-Norephedrine hydrochloride;
PHENYLPROPANOLAMINE HCL;
NOREPHEDRINE HCL;
propadrinehydrochloride;
dl-NOREPHEDRINE HCl;
phenylpropanolamine hydrochloride;
monydrin;
obestat;
LincomycinHydrocloride;
2-amino-1-phenyl-1-propanol monohydrochloride;
1-phenyl-2-amino-1-propanol hydrochloride;
mucorama 
CAS No.:
154-41-6
分 子 式:
C9H13NO.ClH
分 子 量:
187.67
精确分子量:
187.07600
PSA:
46.25000
MDL:
MFCD00013019
EINECS:
205-826-7
BRN:
3914299
InChI:
The Key: DYWNLSQWJMTVGJ-DKXTVVGFSA-N
危险品标志:
风险术语:
R22   
安全术语:
S22;S36/37/39;S45
分子结构式:
SDS:
查看

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 制备方法及用途

制备方法

美国专利2151517叙述的方法是:取10.7公斤苯甲醛与11.0公斤亚硫酸氢钠的50升水溶液强力振摇,直至加成产物完全生成。同时,取8.25公斤硝基乙烷溶于4.5公斤苛性苏打的20升水溶液中,将所得热溶液在强力搅拌下加至苯甲亚硫酸氢钠的稠液中,混合振摇半小时后放置过夜,从浮于上层的油状苯基硝基丙醇中,用11.0公斤亚硫酸氢钠的50升水溶液除少量未反应的苯甲醛。所得苯基硝基丙醇为无公油状物。重17.1-17.7公斤,沸点150-165℃(0.665千帕)。将基氢化并转化为盐酸盐,即为盐酸苯丙醇胺。

合成制备方法

美国专利2151517叙述的方法是:取10.7公斤苯甲醛与11.0公斤亚硫酸氢钠的50水溶液强力振摇,直至加成产物完全生成。同时,取8.25公斤硝基乙烷溶于4.5公斤苛性苏打的20水溶液中,将所得热溶液在强力搅拌下加至苯甲亚硫酸氢钠的稠液中,混合振摇半小时后放置过夜,从浮于上层的油状苯基硝基丙醇中,用11.0公斤亚硫酸氢钠的50水溶液除少量未反应的苯甲醛。所得苯基硝基丙醇为无公油状物。重17.1-17.7公斤,沸点150-1650.665千帕)。将基氢化并转化为盐酸盐,即为盐酸苯丙醇胺。

用途简介

本品为鼻减充血剂,减食欲剂。

用途

本品为鼻减充血剂,减食欲剂。

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 物化性质

外观与性状:
白色粉末
密度:
1.071 g/cm3
熔点:
194-196 °C(lit.)
沸点:
288.1ºC at 760 mmHg
闪点:
128.1ºC
折射率:
1.557
蒸汽压:
0.0011mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,与强氧化剂反应。

 

其它信息:

1.       性状:白色苦味结晶状粉末

2.       密度(g/mL,25):1.25

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC194-196

5.       沸点(ºC,常压):255

6.       沸点(ºC,3mmHg):未确定

7.       折射率(n20/D):未确定

8.       闪点(ºF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(mmHg,20ºC):未确定

12.    饱和蒸气压(kPa,83-85ºC):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:溶于水和醇,不溶于醚、氯仿和苯

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 安全信息

海关代码:
2922199090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S22-S36/37/39-S45
RTECS号:
DN4200000
安全标志:
S22:不要吸入粉尘。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
Xn: Harmful;

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DN4200000
CHEMICAL NAME :
Benzyl alcohol, alpha-(1-aminoethyl)-, hydrochloride, (+-)-
CAS REGISTRY NUMBER :
154-41-6
LAST UPDATED :
199707
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C9-H13-N-O.Cl-H
MOLECULAR WEIGHT :
187.69
WISWESSER LINE NOTATION :
ZY1&YQR &GH -R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
2142 ug/kg
TOXIC EFFECTS :
Vascular - BP elevation not characterized in autonomic section
REFERENCE :
AJMEAZ American Journal of Medicine. (Technical Pub., 875 Third Ave., New York, NY 10022) V.1- 1946- Volume(issue)/page/year: 85,339,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1490 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 71,62,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 20,297,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
428 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 92,207,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,280,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
275 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 9,203,1936
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
255 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Vascular - BP elevation not characterized in autonomic section
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 52,3317,1930 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
6400 ug/kg
SEX/DURATION :
female 16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
PRGLBA Prostaglandins. (Geron-X, Inc., P.O. Box 1108, Los Altos, CA 94022) V.1- 1972- Volume(issue)/page/year: 2,295,1972 *** REVIEWS *** TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 9,389,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2921 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 427 (estimated) No. of Female Employees: 176 (estimated)

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 MSDS

Name: Dl-norephedrine hydrochloride 99+% Material Safety Data Sheet
Synonym: alpha-(1-Aminoethyl)benzyl alcohol hydrochloride; DL-Phenylpropanolamine hydrochloride ; Alpha-hydroxy-beta-Aminopropylbenzene Hydrochloride; Propadrine Hydrochloride
CAS: 154-41-6
Section 1 - Chemical Product   MSDS Name:Dl-norephedrine hydrochloride 99+% Material Safety Data Sheet
Synonym:alpha-(1-Aminoethyl)benzyl alcohol hydrochloride; DL-Phenylpropanolamine hydrochloride ; Alpha-hydroxy-beta-Aminopropylbenzene Hydrochloride; Propadrine Hydrochloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
154-41-6 DL-Norephedrine hydrochloride 99.0+ 205-826-7
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Antidote: None reported.

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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 154-41-6: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: crude benzoic acid
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 194.00 - 196.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C9H13NO.HCl
Molecular Weight: 187.67

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 154-41-6: DN4200000 LD50/LC50:
CAS# 154-41-6: Oral, mouse: LD50 = 150 mg/kg; Oral, rat: LD50 = 1490 mg/kg.
Carcinogenicity:
DL-Norephedrine hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 154-41-6: No information available.
Canada
CAS# 154-41-6 is listed on Canada's DSL List.
CAS# 154-41-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 154-41-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 海关数据

中国海关编码:2922199090

概述:
2922199090. 其他氨基醇及其醚,酯和它们的盐(但含一种以上含氧基的除外). 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:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 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):

2、   氢键供体数量:3

3、   氢键受体数量:2

4、   可旋转化学键数量:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):46.3

7、   重原子数量:12

8、   表面电荷:0

9、   复杂度:110

10、同位素原子数量:0

11、确定原子立构中心数量:2

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

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 上游产品

盐酸苯丙醇胺; ; DL-2-氨基-1-苯基-1-丙醇盐酸盐 下游产品

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