硫代乙酰胺 基本信息 | |||
---|---|---|---|
CAS号 | 62-55-5 | 分子式 | C2H5NS |
分子量 | 75.13280 | 精确质量 | 75.01430 |
PSA | 58.11000 | LogP | 0.99270 |
外观与性状:白色固体
密度:1.37
熔点:108-112 °C(lit.)
沸点:111.7ºC at 760 mmHg
闪点:21.4ºC
水溶解性:16.3 g/100 mL (25 ºC)
折射率:1.543
存储条件/存储方法:
本品应密封于阴凉干燥处保存。
稳定性相关:
其水溶液在室温或50-60℃时相当稳定,但当有氢离子存在时,很快产生硫代氢而分解。新制品有时有硫醇臭、微吸潮。
其它信息:
1. 性状:无色或白色结晶。新制品有时有硫醇臭、微吸潮。
2. 密度(g/mL,25/4℃):1.37
3. 相对蒸汽密度(g/mL,空气=1):不确定
4. 熔点(ºC):108-112(lit.)
5. 沸点(ºC,常压):不确定
6. 沸点(ºC, 5.2kPa):不确定
7. 折射率:不确定
8. 闪点(ºC):不确定
9. 比旋光度(º):不确定
10. 自燃点或引燃温度(ºC):不确定
11. 蒸气压(kPa,25ºC):不确定
12. 饱和蒸气压(kPa,60ºC):不确定
13. 燃烧热(KJ/mol):不确定
14. 临界温度(ºC):不确定
15. 临界压力(KPa):不确定
16. 油水(辛醇/水)分配系数的对数值:不确定
17. 爆炸上限(%,V/V):不确定
18. 爆炸下限(%,V/V):不确定
19. 溶解性:25℃水中的溶解度16.3g/100ml,乙醇26.4g/100ml。极微溶于苯、乙醚。其水溶液在室温或50-60℃时相当稳定,但当有氢离子存在时,很快产生硫代氢而分解
制备方法
1.乙腈与硫化氢反应,或使乙酰胺与五硫化二磷反应可制得硫代乙酰胺。 2. 先将溶剂苯加热到70℃,然后加入工业品乙酰胺,搅拌至完全溶解。然后在快速搅拌下慢慢加入研碎的工业品五硫化二磷 ( 乙酰胺用量为计算量的5倍) 。反应液继续加热至由绿色变为黄色。停止搅拌,小心将黄色溶液分出并冷却结晶,静置2h,过滤,固体在空气中干燥。将滤液蒸馏,除去2/3的苯,冷却结晶,过滤后与上述所得固体合并,即为成品。所得滤液还可回收一些产物。 过程反应式为:合成制备方法
1.乙腈与硫化氢反应,或使乙酰胺与五硫化二磷反应可制得硫代乙酰胺。
2. 先将溶剂苯加热到70℃,然后加入工业品乙酰胺,搅拌至完全溶解。然后在快速搅拌下慢慢加入研碎的工业品五硫化二磷 ( 乙酰胺用量为计算量的5倍) 。反应液继续加热至由绿色变为黄色。停止搅拌,小心将黄色溶液分出并冷却结晶,静置2h,过滤,固体在空气中干燥。将滤液蒸馏,除去2/3的苯,冷却结晶,过滤后与上述所得固体合并,即为成品。所得滤液还可回收一些产物。
过程反应式为:
75-05-8
乙腈
→
~90%
62-55-5
硫代乙酰胺
60-35-5
乙酰胺
→
~84%
62-55-5
硫代乙酰胺
71-23-8
丙醇
+
97893-05-5
97893-05-5
→
~59%
923-99-9
亚磷酸三丙酯
+
62-55-5
硫代乙酰胺
用途
1.用于生产催化剂、稳定剂、阻聚剂、电镀添加剂、照相药品、农药、染色助剂和选矿剂等。也用作聚合物的硫化剂、交联剂、橡胶助剂和医药原料。
2. 用于定性分析,代替硫化氢气体作分组试剂。
CAS号:62-55-5
3D弹球模型: 立即前往扯扯看
分子式:C2H5NS
分子量:75.13280
中文名称:硫代乙酰胺
英文名称:thioacetamide
中文别名:硫代乙酰胺;
乙硫酰胺;
乙硫羰醯胺
英文别名:thioacetamide;
USAF cb-21;
hioacetamide;
thio-acetamid;
CH3CSNH2;
Thiacetamide;
usafek-1719;
Thioactamide;
ethanethioamide;
Thioacetamide
精确分子量/精确质量:75.01430
极性分子表面积/PSA:58.11000
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:MFCD00008070
EINECS:200-541-4
PubChem:24889097
BRN:506006
InChI:InChI=1/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
1、 摩尔折射率:22.13
2、 摩尔体积(cm3/mol):70.2
3、 等张比容(90.2K):187.3
4、 表面张力(dyne/cm):50.6
5、 极化率(10-24cm3):8.77
CHEMICAL IDENTIFICATION
RTECS NUMBER :AC8925000
CHEMICAL NAME :Acetamide, thio-
CAS REGISTRY NUMBER :62-55-5
LAST UPDATED :199701
DATA ITEMS CITED :69
MOLECULAR FORMULA :C2-H5-N-S
MOLECULAR WEIGHT :75.14
WISWESSER LINE NOTATION :ZY1&US
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :301 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Intraperitoneal
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :300 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :Subcutaneous
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :2 gm/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :933 mg/kg/10W-C
TOXIC EFFECTS :Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :240 mg/kg/4D-I
TOXIC EFFECTS :Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1890 mg/kg/4W-C
TOXIC EFFECTS :Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :3648 mg/kg/27W-C
TOXIC EFFECTS :Liver - other changes
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :7350 mg/kg/40W-C
TOXIC EFFECTS :Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :10 gm/kg/39W-C
TOXIC EFFECTS :Tumorigenic - neoplastic by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :6000 mg/kg/43W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :7200 mg/kg/51W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1008 mg/kg/9W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :9900 mg/kg/71W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1600 mg/kg/12W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :5140 mg/kg/47W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Reproductive - Tumorigenic effects - prostate tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :7665 mg/kg/1Y-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :7956 mg/kg/32W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :4320 mg/kg/34W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :18360 mg/kg/73W-C
TOXIC EFFECTS :Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Intraperitoneal
DOSE :1 gm/kg
SEX/DURATION :female 7 day(s) after conception
TOXIC EFFECTS :Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Intraperitoneal
DOSE :150 mg/kg
SEX/DURATION :female 9-11 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Specific Developmental Abnormalities - hepatobiliary system
TYPE OF TEST :TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :Subcutaneous
DOSE :1935 mg/kg
SEX/DURATION :female 6-14 day(s) after conception
TOXIC EFFECTS :Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :Sex chromosome loss and nondisjunction
TYPE OF TEST :Sex chromosome loss and nondisjunction
TYPE OF TEST :Morphological transformation
TYPE OF TEST :DNA adduct
TYPE OF TEST :Unscheduled DNA synthesis
TYPE OF TEST :Unscheduled DNA synthesis
TYPE OF TEST :Cytogenetic analysis
TYPE OF TEST :Cytogenetic analysis
TYPE OF TEST :Micronucleus test
TYPE OF TEST :Unscheduled DNA synthesis
TYPE OF TEST :Mutation test systems - not otherwise specified
TYPE OF TEST :Mutation test systems - not otherwise specified
MUTATION DATA
TYPE OF TEST :Mutation test systems - not otherwise specified
TEST SYSTEM :Primate - monkey Kidney
DOSE/DURATION :25 mg/L/48H
REFERENCE :ECREAL Experimental Cell Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.10- 1950- Volume(issue)/page/year: 57,193,1969 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,77,1974 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,77,1974 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 1(1),93,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83086 No. of Facilities: 47 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1130 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83086 No. of Facilities: 53 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 786 (estimated) No. of Female Employees: 592 (estimated)
1.疏水参数计算参考值(XlogP):-0.3
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:0
5.互变异构体数量:3
6.拓扑分子极性表面积58.1
7.重原子数量:4
8.表面电荷:0
9.复杂度:33
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
安全信息
海关代码:2942000000
WGK_Germany:3
德国有关水污染物质的分类清单
危险类别码:R22;R36/38;R45;R52/53
安全说明:S53-S45-S61
RTECS号:AC8925000
安全标志:S53:避免暴露——使用前先阅读专门的说明。
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)。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志:T:Toxic;
海关信息
60-35-5
乙酰胺
75-05-8
乙腈
298-06-6
O,O′-二乙基二硫代磷酸酯
2669-09-2
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631-61-8
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2825-81-2
(E)-methyl ester,2-Hexadecenoic acid
2345-28-0
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2825-80-1
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1050392-22-7
3-氨基-3-(4-甲氧基苯基)-2-甲基-2-硫代丙烯酰胺
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