Benzene, 1-chloro-4-((chloromethyl)thio)- 分子结构式
HCID23610

Benzene, 1-chloro-4-((chloromethyl)thio)-

1-chloro-4-(chloromethylsulfanyl)benzene

C7H6Cl2S193.09 g/molCAS 7205-90-5

IDENTITY

结构与身份

标准SMILES
ClCSc1ccc(Cl)cc1
InChIKey
XPJUCMIJGVAEGF-UHFFFAOYSA-N
分子式
C7H6Cl2S
平均分子量
193.09 g/mol
单同位素质量
191.9567268

COMPUTED

结构计算性质

已同步
XLogP
3.7
极性表面积
25.3 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
10
形式电荷
0
复杂度
89

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Corr. 1B (97.5%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzene, 1-chloro-4-[(chloromethyl)thio]-: ACTIVE

ALIASES

名称与别名

共 41 条
7205-90-5Chloromethyl 4-chlorophenyl sulphidep-Chloro-S-chloromethylbenzenethiolThiophenol, p-chloro-S-chloromethylp-Chlorfenyl-chlormethylsulfid1-Chloro-4-(chloromethylthio)benzenep-ChlorfenylmerkaptomethylchloridEINECS 230-578-1p-Chlorfenyl-chlormethylsulfid [Czech]BRN 2043507p-Chlorfenylmerkaptomethylchlorid [Czech]Benzene, 1-chloro-4-((chloromethyl)thio)-Benzene, 1-chloro-4-[(chloromethyl)thio]-Thiophenol, p-chloro-S-chloromethyl-4-06-00-01593 (Beilstein Handbook Reference)1-Chloro-4-[(chloromethyl)thio]benzene1-Chloro-4-((chloromethyl)thio)benzeneRefChem:562446230-578-1InChI=1/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H

REACTIONS

参与反应

8
HRID 46407 反应方程式

uspto-grants-1979_11 · 10.6084/m9.figshare.5104873.v1 · US04173463

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HRID 247060 反应方程式

uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04705791

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HRID 247063 反应方程式

uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04705791

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HRID 446200 反应方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08476450B2

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HRID 552050 反应方程式

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07951550B2

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HRID 1068028 反应方程式

uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06248739B1

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HRID 1547729 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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HRID 1982551 反应方程式

uspto-grants-1986_06 · 10.6084/m9.figshare.5104873.v1 · US04596870

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