3-羟基苯并噻吩

3-羟基苯并噻吩 基本信息
CAS号 520-72-9 分子式 C8H6OS
分子量 150.19800 精确质量  150.01400
PSA  48.47000 LogP  2.60690

基本信息 展开↓

CAS号:
520-72-9
3D弹球模型:
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分子式:
C8H6OS
分子量:
150.19800
中文名称:
3-羟基苯并噻吩
英文名称:
1-benzothiophen-3-ol
中文别名:
3-羟基苯并噻吩;
75590;
C.I. Natural Yellow 1;
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;
apigenin;
Diosmin;
Cirantin;
Glucopyranoside;
hesperetin-7[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)]-beta-D-;
Hesperetin 7-rhamnoglucoside;
Hesperetin 7-rutinoside;
Hesperetin 7-[6-O- (6-deoxy-.alpha.-L-mannopyranosyl)]-.beta.-D-gluco pyranosid e);
Hesperetin-7-rutinoside;
(2S)-Hesperidin;
S)-(-)-Hesperidine;
Hesperidoside;
Hesperitin-7-rhamnoglucoside;
NSC44184;
Usaf cf-3;
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexo;
Hesperiden;
sodium salt of hydroxy-o-carboxy-phenyl-fluorone;
resorcinol phthalein sodium;
Fluorescein, sodium derivative, sodium salt;
Soluble fluorescein;
Uranine A Extra;
Uranine K;
Uranine O;
Uranine SS;
Uranine USP XII;
Uranine WSS;
Uranine Yellow;
Yellow no. 8;
3',6'-Dihydroxy-spiro[3H-isobenzofuran-1,9'-xanthen]-3-one disodium salt;
3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-(9H)xanthene]-3-one, disodium salt;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-isobenzofuran-3'-one;
3,6-Dihydroxyxanthen
英文别名:
1-benzothiophen-3-ol;
3-hydroxy-thionaphthene;
Benzothiophen-3-ol;
benzothiophen-3-ol;
3-hydroxybenzo[b]thiophene;
3-Hydroxythianaphthene;
hydroxy benzo[b]thiophene;
BENZO(b)THIOPHENE-3-OL;
3-Hydroxybenzothiophene
精确分子量/精确质量:
150.01400
极性分子表面积/PSA:
48.47000
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/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,9H

物化性质展开↓

密度:
1.347g/cm3
沸点:
301.6ºC at 760mmHg
闪点:
136.2ºC
折射率:
1.727

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 3704-28-7

    2-(甲基硫代)苯甲酸甲酯

  • ~51%

  • 520-72-9

    3-羟基苯并噻吩

  • 103-04-8

    苯硫基乙酸

  • +

  • 7664-39-3

    氢氟酸

  • 520-72-9

    3-羟基苯并噻吩

  • +

  • 17067-15-1

    17067-15-1

  • 7664-93-9

    硫酸

  • +

  • 103-04-8

    苯硫基乙酸

  • +

  • 56-81-5

    甘油

  • 520-72-9

    3-羟基苯并噻吩

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9780000
CHEMICAL NAME :
Benzo(b)thiophene-3-ol
CAS REGISTRY NUMBER :
520-72-9
BEILSTEIN REFERENCE NO. :
0114954
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-O-S
MOLECULAR WEIGHT :
150.20
WISWESSER LINE NOTATION :
T56 BSJ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09426

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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