HCID2737503

4-Bromo-3-methylbenzene-1-sulfonyl chloride

4-bromo-3-methylbenzenesulfonyl chloride

C7H6BrClO2S269.54 g/molCAS 72256-93-0

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IDENTITY

结构与身份

标准SMILES: Cc1cc(S(=O)(=O)Cl)ccc1Br
InChIKey: JRNDXUKMWFVEIC-UHFFFAOYSA-N
分子式: C7H6BrClO2S
平均分子量: 269.54 g/mol
单同位素质量: 267.89604

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 42.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 247

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H314 (100%): 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 49 reports by companies from 5 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 (100%)

ALIASES

名称与别名

共 28 条

4-Bromo-3-methylbenzene-1-sulfonyl chlorideRefChem:519999627-773-272256-93-04-Bromo-3-methylbenzenesulfonyl chloride4-bromo-3-methylbenzenesulphonyl chlorideMFCD030946964-bromo-3-methyl-benzenesulfonyl Chloride4-Bromo-3-methylbenzenesulphonylchloride6-Bromo-m-toluene-3-sulfonyl ChlorideSCHEMBL17985SCHEMBL30454637JRNDXUKMWFVEIC-UHFFFAOYSA-DTXSID70372100SBB082162(4-bromo-3-methylphenyl)chlorosulfoneAKOS0001998814-bromo-3-methylbenzene sulfonyl chloride4-bromo-3-methylphenyl sulphonyl chlorideDS-14681

REACTIONS

参与反应

24 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536187B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868030B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915271B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08722704B2

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