1-methyl-2-nitrobenzimidazole

1-methyl-2-nitrobenzimidazole 基本信息
CAS号 5709-68-2 分子式 C8H7N3O2
分子量 177.16000 精确质量  177.05400
PSA  63.64000 LogP  2.00470

基本信息 展开↓

CAS号:
5709-68-2
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分子式:
C8H7N3O2
分子量:
177.16000
英文名称:
1-methyl-2-nitrobenzimidazole
英文别名:
1-methyl-2-nitrobenzimidazole;
1-methyl-2-nitro-1H-benzimidazole;
Benzimidazole,1-methyl-2-nitro;
1-methyl-2-nitro-1H-benzoimidazole;
1-Methyl-2-nitro-benzimidazol;
1-methyl-2-nitro-benzimidazole;
1-N-Methyl-2-nitrobenzimidazole
精确分子量/精确质量:
177.05400
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: YGVJTZIZVPQREL-UHFFFAOYSA-N

物化性质展开↓

密度:
1.42g/cm3
沸点:
378.6ºC at 760 mmHg
闪点:
182.8ºC
折射率:
1.676

合成路线查看所有的合成路线

  • 5709-67-1

    2-硝基-1H-苯并咪唑

  • ~54%

  • 5709-68-2

    1-methyl-2-nitrobenzimidazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD9468500
CHEMICAL NAME :
Benzimidazole, 1-methyl-2-nitro-
CAS REGISTRY NUMBER :
5709-68-2
BEILSTEIN REFERENCE NO. :
0958504
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H7-N3-O2
MOLECULAR WEIGHT :
177.18
WISWESSER LINE NOTATION :
T56 BN DNJ B1 CNW

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 :
500 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 :
199 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 :
375 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 - Salmonella typhimurium
DOSE/DURATION :
1 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 173,169,1986

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