1-甲基-2-硝基-1H-咪唑

1-甲基-2-硝基-1H-咪唑 基本信息
CAS号 1671-82-5 分子式 C4H5N3O2
分子量 127.10100 精确质量  127.03800
PSA  63.64000 LogP  0.85150

基本信息 展开↓

CAS号:
1671-82-5
3D弹球模型:
立即前往扯扯看
分子式:
C4H5N3O2
分子量:
127.10100
中文名称:
1-甲基-2-硝基-1H-咪唑
英文名称:
1-methyl-2-nitroimidazole
中文别名:
1-甲基-2-硝基-1H-咪唑;
1 -甲基- 2 -硝基-1H -咪唑
英文别名:
1-methyl-2-nitroimidazole;
1-METHYL-2-NITRO-1H-IMIDAZOLE;
1H-Imidazole,1-methyl-2-nitro;
Imidazole,1-methyl-2-nitro
精确分子量/精确质量:
127.03800
极性分子表面积/PSA:
63.64000
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。
InChI:
The Key: HBMINVNVQUDERA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.44g/cm3
沸点:
308.9ºC at 760mmHg
闪点:
140.6ºC
折射率:
1.618
蒸汽压:
0.000662mmHg at 25°C

合成路线查看所有的合成路线

  • 527-73-1

    2-硝基咪唑

  • +

  • 77-78-1

    硫酸二甲酯

  • ~37%

  • 1671-82-5

    1-甲基-2-硝基-1H-咪唑

  • 616-47-7

    N-甲基咪唑

  • ~5%

  • 19183-20-1

    1H-Imidazole, 1-methyl-2,4,5-trinitro-

  • +

  • 1671-82-5

    1-甲基-2-硝基-1H-咪唑

  • 616-47-7

    N-甲基咪唑

  • ~5%

  • 5213-50-3

    1-methyl-2,4-dinitroimidazole

  • +

  • 19183-20-1

    1H-Imidazole, 1-methyl-2,4,5-trinitro-

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI7500000
CHEMICAL NAME :
Imidazole, 1-methyl-2-nitro-
CAS REGISTRY NUMBER :
1671-82-5
BEILSTEIN REFERENCE NO. :
0607942
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C4-H5-N3-O2
MOLECULAR WEIGHT :
127.12
WISWESSER LINE NOTATION :
T5N CNJ A1 BNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
126 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 :
126 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
158 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
5 umol/L
REFERENCE :
BJCSB5 British Journal of Cancer, Supplement. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2ZS, UK) No.1- 1973- Volume(issue)/page/year: 3,60,1978 *** REVIEWS *** TOXICOLOGY REVIEW ADCMAZ Advances in Chemotherapy. (New York, NY) V.1-3, 1964-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 3,39,1968

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