- 中文别名：氯硝西泮
- 中文释义：氯安定;氯硝西泮;5-(邻氯苯基)-1,3-二氢-7-硝基-2H-1,4-苯并二氮杂草-2-酮;5-(2-氯苯基)-1,3-二氢-7-硝基-2H-1,4-苯并二氮杂卓-2-酮
- 英文别名：clonazepam;
Sentil;
ro5-4023;
Ribotril;
Clonopin;
Rivotril;
Rivotri;
ro4-8180;
5-(2-Chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2(1H)-one;
RO4023;
Landsen;
Clonazepam;
Klonopin - cas No.：1622-61-3
- 分子式：C15H10ClN3O3
- 分子量：315.71100
- 精确分子量：315.04100
- PSA：87.28000
- MDL：MFCD00057746
- InChI：InChI=1/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
- 分子结构式：
物化性质
- 外观与性状：
- 类白色结晶性粉末。熔点236.5-238.5。溶于水，易溶于甲醇、乙醚、苯。
- 密度：
- 1.5g/cm3
- 熔点：
- 236.5-238.50C
- 沸点：
- 524.5°C at 760 mmHg
- 闪点：
- 11 °C
- 存储条件/存储方法：
- 2-8°C
- 稳定性相关：
常温常压下稳定，避免氧化物 酸 酸性氯化物 醋酸酐 碱金属 还原剂接触
- 其它信息：
1. 性状：，类白色结晶性粉末。
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）：236.5-238.5
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）： 11
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：溶于水，易溶于甲醇、乙醚、苯。
安全信息
- 外观与性状：
- 类白色结晶性粉末。熔点236.5-238.5。溶于水，易溶于甲醇、乙醚、苯。
- 密度：
- 1.5g/cm3
- 熔点：
- 236.5-238.50C
- 沸点：
- 524.5°C at 760 mmHg
- 闪点：
- 11 °C
- 存储条件/存储方法：
- 2-8°C
- 稳定性相关：
常温常压下稳定，避免氧化物 酸 酸性氯化物 醋酸酐 碱金属 还原剂接触
- 其它信息：
1. 性状：，类白色结晶性粉末。
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）：236.5-238.5
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）： 11
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：溶于水，易溶于甲醇、乙醚、苯。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DF2100000
- CHEMICAL NAME :
- 2-H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-
- CAS REGISTRY NUMBER :
- 1622-61-3
- BEILSTEIN REFERENCE NO. :
- 0759557
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 16
- MOLECULAR FORMULA :
- C15-H10-Cl-N3-O3
- MOLECULAR WEIGHT :
- 315.73
- WISWESSER LINE NOTATION :
- T67 GMV JN IHJ CNW KR BG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 21 mg/kg/26W-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - fasciculations
- REFERENCE :
- PGMJAO Postgraduate Medical Journal. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1925- Volume(issue)/page/year: 63,311,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 1329 ug/kg/31D-I
- TOXIC EFFECTS :
- Liver - liver function tests impaired
- REFERENCE :
- AJGAAR American Journal of Gastroenterology. (American College of Gastroenterology, Inc., 428 E. Preston St., Baltimore, MD 21202) V.21- 1954- Volume(issue)/page/year: 83,576,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >15 gm/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: 6,235,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 14200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/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: 6,235,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 35,77,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/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: 6,235,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7280 mg/kg/26W-I
- TOXIC EFFECTS :
- Brain and Coverings - changes in brain weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in thyroid weight
- 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: 4,1441,1976 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1750 ug/kg
- SEX/DURATION :
- female 14-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - biochemical and metabolic
- REFERENCE :
- LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 44,493,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 3300 ug/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 40,365,1977
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 8 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System
- REFERENCE :
- DGDFA5 Development, Growth & Differentiation. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.11- 1969- Volume(issue)/page/year: 22,61,1980
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 24 mg/kg
- SEX/DURATION :
- female 6-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- 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: 5,2457,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5401 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 998 (estimated) No. of Female Employees: 546 (estimated)
- 毒理学数据：
对眼睛、皮肤、粘膜有刺激作用
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：81.24
2、 摩尔体积（m3/mol）：209.9
3、 等张比容（90.2K）：588.6
4、 表面张力（dyne/cm）：61.8
5、 介电常数（F/m）：无可用
6、 极化率（10-24cm3）：32.20
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:1
3.氢键受体数量:4
4.可旋转化学键数量:1
5.互变异构体数量:10
6.拓扑分子极性表面积87.3
7.重原子数量:22
8.表面电荷:0
9.复杂度:491
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:1