5-氯-3-甲基苯并[D]噁唑-2(3H)-酮

5-氯-3-甲基苯并[D]噁唑-2(3H)-酮 基本信息
CAS号 5790-90-9 分子式 C8H6ClNO2
分子量 183.59200 精确质量  183.00900
PSA  35.14000 LogP  1.78490

基本信息 展开↓

CAS号:
5790-90-9
3D弹球模型:
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分子式:
C8H6ClNO2
分子量:
183.59200
中文名称:
5-氯-3-甲基苯并[D]噁唑-2(3H)-酮
英文名称:
5-chloro-3-methyl-1,3-benzoxazol-2-one
中文别名:
5-氯-3-甲基苯并[D]噁唑-2(3H)-酮
英文别名:
5-chloro-3-methyl-1,3-benzoxazol-2-one;
5-Chloro-3-methyl-2-benzoxazolinone;
3-Methyl-5-chloro-2-benzoxazolinon;
5-chloro-3-methyl-3H-benzooxazol-2-one;
2-BENZOXAZOLINONE,5-CHLORO-3-METHYL;
5-Chlor-2-oxo-3-methyl-2.3-dihydro-benzoxazol;
5-Chlor-3-methyl-3H-benzoxazol-2-on;
3-methyl-5-chloro-2-benzoxazolinone;
5-chloro-3-methyl-3H-benzoxazol-2-one
精确分子量/精确质量:
183.00900
极性分子表面积/PSA:
35.14000
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: VORWOQGVKPXSCM-UHFFFAOYSA-N

物化性质展开↓

密度:
1.422g/cm3
沸点:
294ºC at 760 mmHg
闪点:
131.6ºC
折射率:
1.599

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 117124-13-7

    117124-13-7

  • 5790-90-9

    5-氯-3-甲基苯并[D]噁唑-2(3H)-酮

  • 61-80-3

    2-氨基-5-氯苯并噁唑

  • 5790-90-9

    5-氯-3-甲基苯并[D]噁唑-2(3H)-酮

  • 64037-23-6

    5-chloro-3-methyl-1,3-benzoxazol-2-imine

  • 5790-90-9

    5-氯-3-甲基苯并[D]噁唑-2(3H)-酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5265000
CHEMICAL NAME :
2-Benzoxazolinone, 5-chloro-3-methyl-
CAS REGISTRY NUMBER :
5790-90-9
BEILSTEIN REFERENCE NO. :
0140893
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H6-Cl-N-O2
MOLECULAR WEIGHT :
183.60
WISWESSER LINE NOTATION :
T56 BNVOJ B1 HG

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 :
>2 gm/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),341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/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),340,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/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),340,1964

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