4549-40-0

• 常用中文名：甲基乙烯基亚硝胺
• 常用英文名：Ethenamine,N-methyl-N-nitroso-
• CAS号：4549-40-0
• 分子式：C₃H₆N₂O
• 分子量：86.09250
• 发布时间：2018-08-25 11:58:21
• 更新时间：2024-01-11 15:49:08

名称

• 中文名: 甲基乙烯基亚硝胺
• 英文名: N-ethenyl-N-methylnitrous amide
• 英文别名: N-Methyl-N-nitrosovinylamine; Ethenamine,N-methyl-N-nitroso; N-Nitroso-vinyl-methylamin; Vinylamine,N-methyl-N-nitroso; MVNA; N-Nitroso-N-methylvinylamine; NMVA; Methylvinylnitrosamine; N-Nitroso-methylvinylamin; Methylvinylnitrosamin; Methylvinylnitrosoamine; N-NITROSOMETHYLVINYLAMINE

物化性质

• 密度: 0.94g/cm3
• 沸点: 151.6ºC at 760mmHg
• 分子式: C₃H₆N₂O
• 分子量: 86.09250
• 闪点: 45.5ºC
• 精确质量: 86.04800
• PSA: 32.67000
• LogP: 0.74310
• 折射率: 1.436
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:32.7

  7.重原子数量:6

  8.表面电荷:0

  9.复杂度:61.8

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YZ0875000 CHEMICAL NAME : Vinylamine, N-methyl-N-nitroso- CAS REGISTRY NUMBER : 4549-40-0 LAST UPDATED : 199612 DATA ITEMS CITED : 13 MOLECULAR FORMULA : C3-H6-N2-O MOLECULAR WEIGHT : 86.11 WISWESSER LINE NOTATION : ONN1&1U1 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 : 24 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 22 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 110 mg/kg/52W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1077,1969 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2700 ug/kg/30M/33W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors REFERENCE : ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967 TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 50 mg/kg/50D TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1077,1969 TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 44 mg/kg TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors REFERENCE : ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 66,1,1964 *** 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: 17,257,1978 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: 17,257,1978 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE;Carcinogen JAN 1993

安全

• 危险品运输编码: UN 2810
• 包装等级: II
• 危险类别: 6.1(a)
• 海关编码: 2928000090

合成路线

1116-54-7 ~% 59-89-2 62-75-9 26921-68-6 详细

文献：Loeppky, R. N.; McKinley, W. A.; Hazlitt, L. G.; Outram, J. R. Journal of Organic Chemistry, 1982 , vol. 47, # 25 p. 4833 - 4841

26921-68-6 ~% 50-00-0 62-75-9 4549-40-0

文献：Loeppky, R. N.; McKinley, W. A.; Hazlitt, L. G.; Outram, J. R. Journal of Organic Chemistry, 1982 , vol. 47, # 25 p. 4833 - 4841

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
Summary	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%