HCID3583019

2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

C8H6ClNO2S2247.7 g/molCAS 21431-13-0

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IDENTITY

结构与身份

标准SMILES: Cc1nc2ccc(S(=O)(=O)Cl)cc2s1
InChIKey: PMMBRDLKYRRHMI-UHFFFAOYSA-N
分子式: C8H6ClNO2S2
平均分子量: 247.7 g/mol
单同位素质量: 246.9528485

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 83.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 314

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Acute Tox. 4 (66.7%)；Skin Corr. 1B (100%)；STOT SE 3 (33.3%)

ALIASES

名称与别名

共 27 条

21431-13-02-methyl-1,3-benzothiazole-6-sulfonyl chlorideDTXSID10393879RefChem:262864DTXCID00344739825-009-42-methylbenzo[d]thiazole-6-sulfonyl chloride2-Methyl-benzothiazole-6-sulfonyl chlorideMFCD039905712-methylbenzothiazole-6-sulfonyl chloride2-METHYL-1,3-BENZOTHIAZOLE-6-SULPHONYL CHLORIDE 95+%2-Methyl-1,3-benzothiazole-6-sulphonyl chlorideSCHEMBL609522F1967-0194WAA43113SBB002795AKOS000301981VS-0357chloro(2-methylbenzothiazol-6-yl)sulfoneSY040264

REACTIONS