(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol

(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol 基本信息
CAS号 77602-73-4 分子式 C18H18ClNOS
分子量 331.86000 精确质量  331.08000
PSA  48.77000 LogP  4.89360

基本信息 展开↓

CAS号:
77602-73-4
3D弹球模型:
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分子式:
C18H18ClNOS
分子量:
331.86000
中文名称:
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
英文名称:
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
中文别名:
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
英文别名:
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol;
9H-Thioxanthen-3-ol,7-chloro-9-[3-(dimethylamino)propylidene]-, (9Z)-
精确分子量/精确质量:
331.08000
极性分子表面积/PSA:
48.77000
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: WHGUGQZTJWCKGG-UHFFFAOYSA-N

物化性质展开↓

密度:
1.327g/cm3
沸点:
484ºC at 760 mmHg
闪点:
246.5ºC
折射率:
1.706

安全信息展开↓

海关代码:
2932999099

合成路线查看所有的合成路线

  • 77602-62-1

    2-chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene

  • ~32%

  • 77602-73-4

    (9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol

  • 77602-56-3

    2-chloro-6-methoxy-9-(3-dimethylaminopropyl)thioxanthene-9-ol

  • ~12%

  • 77602-73-4

    (9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol

  • 77602-52-9

    2-chloro-6-methoxy-9H-thioxanthen-9-one

  • 77602-73-4

    (9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XO1579150
CHEMICAL NAME :
9H-Thioxanthen-3-ol, 7-chloro-9-(3-(dimethylamino)propylidene)-, (Z)-
CAS REGISTRY NUMBER :
77602-73-4
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H18-Cl-N-O-S
MOLECULAR WEIGHT :
331.88

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
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 45,3166,1980

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 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:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 77602-62-1

    2-chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene

  • 77602-56-3

    2-chloro-6-methoxy-9-(3-dimethylaminopropyl)thioxanthene-9-ol

  • 54506-90-0

    2-(4-chlorophenyl)sulfanyl-4-methoxybenzoic acid

  • 77602-52-9

    2-chloro-6-methoxy-9H-thioxanthen-9-one

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