cas号： 59-97-2 ，名称：盐酸妥拉唑林的性质/作用/用途-化学加百科

盐酸妥拉唑林

盐酸妥拉唑林基本信息
CAS号	59-97-2	分子式	C10H13ClN2
分子量	196.67700	精确质量	196.07700
PSA	24.39000	LogP	1.79720

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基本信息制备方法与用途物化性质安全信息化学图谱毒性 MSDS 海关数据结构与计算数据

基本信息展开↓

CAS号：: 59-97-2
3D弹球模型：: 立即前往扯扯看
分子式：: C10H13ClN2
分子量：: 196.67700
中文名称：: 盐酸妥拉唑林
英文名称：: Tolazoline hydrochloride
中文别名：: 盐酸妥拉唑林;
2-苄基咪唑啉;
2-苄基-2-咪唑啉盐酸盐
英文别名：: Tolazoline hydrochloride;
2-benzyl-4,5-dihydro-1H-imidazole,hydrochloride
精确分子量/精确质量：: 196.07700
极性分子表面积/PSA：: 24.39000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：: MFCD00012693
EINECS：: 200-447-3
InChI：: InChI=1/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H

生产制备方法及用途展开↓

制备方法

生化研究。医药。

用途简介

用途

生化研究。医药。

物化性质展开↓

外观与性状：: 淡黄色结晶固体
密度：: 1.09g/cm3
熔点：: 172-176 °C
沸点：: 338.2ºC at 760mmHg
闪点：: 158.3ºC
存储条件/存储方法：: 通风低温干燥
其它信息：: 1.      性状：白色或乳白色结晶性粉末。有微香。味苦。
2.      密度（g/mL,25/4℃）：未确定
3.      相对蒸汽密度（g/mL,空气=1）：未确定
4.      熔点（ºC）：174
5.      沸点（ºC,常压）：未确定
6.      沸点（ºC,5.2kPa）：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（kPa,25ºC）：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：易溶于水、乙醇，溶于氯仿，极微溶于乙醚和乙酸乙酯。

安全信息展开↓

海关代码：: 2933290090
危险类别码：: R22
安全说明：: S22
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：: Xn:Harmful;

化学图谱

盐酸甲苯咪唑啉红外图谱(IR1)
盐酸甲苯咪唑啉红外图谱(IR2)
盐酸甲苯咪唑啉质谱(MS)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ2350000

CHEMICAL NAME :: 2-Imidazoline, 2-benzyl-, monohydrochloride

CAS REGISTRY NUMBER :: 59-97-2

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C10-H12-N2.Cl-H

MOLECULAR WEIGHT :: 196.70

WISWESSER LINE NOTATION :: T5M CN BUTJ B1R &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human - infant

DOSE/DURATION :: 48 mg/kg/47H-C

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from duodenum Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: AUPJB7 Australian Paediatric Journal. (Royal Childrens Hospital, Parkville, Vic., Australia) V.1- 1965- Volume(issue)/page/year: 22,221,1986

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human

DOSE/DURATION :: 150 ug/kg

TOXIC EFFECTS :: Cardiac - change in rate Vascular - other changes Skin and Appendages - sweating

REFERENCE :: FOMDAK Folia Medica (Naples). (Naples, Italy) V.1-57, 1915-74. Volume(issue)/page/year: 27,729,1941

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1200 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: 6,511,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 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: 6,511,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 85 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: 6,511,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1992,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1992,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56700 ug/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: JOPHDQ Journal of Pharmacobio-Dynamics. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1978- Volume(issue)/page/year: 9,395,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5567 No. of Facilities: 41 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 2093 (estimated) No. of Female Employees: 1417 (estimated)

毒理学数据：

1、急性毒性：婴儿静脉TDLo：48mg/kg、47H-C；人静脉TDLo：150ug/kg；大鼠经口LD50：1200mg/kg；大鼠腹腔LD50：100mg；

大鼠静脉LD50：85mg/kg；小鼠经口LD50：400mg/kg；小鼠腹腔LD50：130mg/kg；小鼠静脉LD50：56700ug/kg

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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# 59-97-2: 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: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 174.00 - 176.00 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: freely soluble
Specific Gravity/Density:
Molecular Formula: C10H12N2.HCl
Molecular Weight: 196.72

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
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# 59-97-2: NJ2350000 LD50/LC50:
CAS# 59-97-2: Oral, mouse: LD50 = 400 mg/kg; Oral, rat: LD50 = 1200 mg/kg.
Carcinogenicity:
Tolazoline Hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION

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:
S 22 Do not breathe dust.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 59-97-2: No information available.
Canada
CAS# 59-97-2 is listed on Canada's NDSL List.
CAS# 59-97-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59-97-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2933290090

概述：: 2933290090. 其他结构含非稠合咪唑环的化合物. 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：: 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据

1、

摩尔折射率：49.63

2、

摩尔体积（m³/mol）：145.8

3、

等张比容（90.2K）：370.3

4、

表面张力（dyne/cm）：41.5

5、

极化率（10^-24cm³

）：19.67

计算化学数据

1、计疏水参数计算参考值（XlogP）：

2、

氢键供体数量：2

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）：24.4

7、

重原子数量：13

8、

表面电荷：0

9、

复杂度：169

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

Name:	Tolazoline Hydrochloride 99% Material Safety Data Sheet
Synonym:	2-Benzyl-2-Imidazoline Hydrochloride
CAS:	59-97-2

CAS#	Chemical Name	content	EINECS#
59-97-2	Tolazoline Hydrochloride	99%	200-447-3