2-氨基-6-溴苯并恶唑

2-氨基-6-溴苯并恶唑 基本信息
CAS号 52112-66-0 分子式 C7H5BrN2O
分子量 213.03100 精确质量  211.95900
PSA  52.05000 LogP  2.75370

基本信息 展开↓

CAS号:
52112-66-0
3D弹球模型:
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分子式:
C7H5BrN2O
分子量:
213.03100
中文名称:
2-氨基-6-溴苯并恶唑
英文名称:
6-bromo-1,3-benzoxazol-2-amine
中文别名:
2-氨基-6-溴苯并恶唑;
2-氨基-6-溴苯并噁唑
英文别名:
6-bromo-1,3-benzoxazol-2-amine;
6-Brom-benzoxazol-2-ylamin;
BENZOXAZOLE,2-AMINO-6-BROMO;
6-bromo-benzooxazol-2-ylamine;
2-Benzoxazolamine,6-bromo;
2-Amino-6-bromobenzoxazole;
6-bromo-2-Benzoxazolamine;
6-bromobenzo[d]oxazol-2-amine;
6-Bromobenzo[d]oxazol-2-amine;
6-bromo-benzoxazol-2-ylamine
精确分子量/精确质量:
211.95900
极性分子表面积/PSA:
52.05000
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:
InChI=1/C7H4BrNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

物化性质展开↓

密度:
1.804g/cm3
沸点:
340.4ºC at 760mmHg
折射率:
1.649

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 4570-41-6

    2-氨基苯并噁唑

  • ~62%

  • 52112-66-0

    2-氨基-6-溴苯并恶唑

  • 1520-26-9

    邻羟基苯基硫脲

  • 52112-66-0

    2-氨基-6-溴苯并恶唑

  • 1404480-07-4

    1404480-07-4

  • 52112-66-0

    2-氨基-6-溴苯并恶唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4530000
CHEMICAL NAME :
Benzoxazole, 2-amino-6-bromo-
CAS REGISTRY NUMBER :
52112-66-0
BEILSTEIN REFERENCE NO. :
0127765
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H5-Br-N2-O
MOLECULAR WEIGHT :
213.05
WISWESSER LINE NOTATION :
T56 BN DOJ CZ GE

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
294 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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