2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid 基本信息
CAS号 76191-52-1 分子式 C19H14O6
分子量 338.31100 精确质量 　338.07900
PSA 　100.90000 LogP 　2.87000
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
76191-52-1
3D弹球模型：
立即前往扯扯看
分子式：
C19H14O6
分子量：
338.31100
英文名称：
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
英文别名：
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid;
Benzoic acid,2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl;
WS-5995 B;
2-(5-hydroxy-1,4-naphthoquinon-2-yl)-3-methoxy-5-methylbenzoic acid;
Antibiotic WS 5995B;
2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
精确分子量/精确质量：
338.07900
极性分子表面积/PSA：
100.90000
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: SFCJKMQKLHNLCX-UHFFFAOYSA-N

物化性质展开↓

密度：
1.433g/cm3
沸点：
626.2ºC at 760 mmHg
闪点：
231.5ºC
折射率：
1.665

合成路线查看所有的合成路线

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    125187-17-9

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    ~52%

  • 76191-52-1

    2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

  • 155722-68-2

    155722-68-2

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  • 76191-52-1

    2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

  • 155722-67-1

    155722-67-1

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  • 76191-52-1

    2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG8576080
CHEMICAL NAME :
Benzoic acid, 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3- methoxy-5-methyl-
CAS REGISTRY NUMBER :
76191-52-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H14-O6
MOLECULAR WEIGHT :
338.33

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980

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