甲基苯巴比妥
- 中文名称:
- 甲基苯巴比妥
- 中文别名:
- 甲基苯巴比妥;
甲苯比妥
- 英文名称:
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-phenyl-
- 英文别名:
- mephobarbital;
5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione;
Mephobarbital
- CAS No.:
- 115-38-8
- 分 子 式:
-
C13H14N2O3
- 分 子 量:
- 246.26
- 精确分子量:
- 246.10000
- PSA:
- 66.48000
- MDL:
- MFCD00270034
- EINECS:
- 204-085-7
- InChI:
- InChI=1/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
甲基苯巴比妥 制备方法及用途
制备方法
催眠镇静药。
用途简介
用途
催眠镇静药。
甲基苯巴比妥 物化性质
- 外观与性状:
- 白色结晶固体
- 密度:
- 1.211 g/cm3
- 熔点:
- 176ºC
- 沸点:
- 395.9ºC at 760 mmHg
- 闪点:
- 193.2ºC
- 折射率:
- 1.543
- 蒸汽压:
- 5.62E-07mmHg at 25°C
- 其它信息:
1.熔点(℃):176。
甲基苯巴比妥 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ6650000
- CHEMICAL NAME :
- Barbituric acid, 5-ethyl-1-methyl-5-phenyl-
- CAS REGISTRY NUMBER :
- 115-38-8
- BEILSTEIN REFERENCE NO. :
- 0256144
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C13-H14-N2-O3
- MOLECULAR WEIGHT :
- 246.29
- WISWESSER LINE NOTATION :
- T6VMVNV FHJ D1 F2 FR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant
- REFERENCE :
- PHMCAA Pharmacologist. (American Soc. for Pharmacology and Experimental
Therapeutics, 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1959-
Volume(issue)/page/year: 5,237,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HPPAAL Helvetica Physiologia et Pharmacologica Acta. (Basel, Switzerland)
V.1-26, 1943-68. Discontinued. Volume(issue)/page/year: 19,241,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 230 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: 6,851,1982
- 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 :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,851,1982
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 3360 mg/kg
- SEX/DURATION :
- female 1-40 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - cardiovascular
(circulatory) system
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823-
Volume(issue)/page/year: 2,839,1972
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - 84700
No. of Facilities: 68 (estimated)
No. of Industries: 1
No. of Occupations: 6
No. of Employees: 2770 (estimated)
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - 84700
No. of Facilities: 10 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 340 (estimated)
No. of Female Employees: 180 (estimated)
甲基苯巴比妥 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:64.13
2、 摩尔体积(cm3/mol):203.2
3、 等张比容(90.2K):520.9
4、 表面张力(dyne/cm):43.1
5、 极化率(10-24cm3):25.42
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:3
4.可旋转化学键数量:2
5.互变异构体数量:3
6.拓扑分子极性表面积66.5
7.重原子数量:18
8.表面电荷:0
9.复杂度:388
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:1
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