HCID15196158

3,4,5-Trimethoxybenzene-1-sulfonyl chloride

3,4,5-trimethoxybenzenesulfonyl chloride

C9H11ClO5S266.7 g/molCAS 39614-62-5

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IDENTITY

结构与身份

标准 SMILES: COc1cc(S(=O)(=O)Cl)cc(OC)c1OC
InChIKey: MQSMMBMVEDEDQR-UHFFFAOYSA-N
分子式: C9H11ClO5S
平均分子量: 266.7 g/mol
单同位素质量: 266.0015723

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 70.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 298

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 18 条

3,4,5-Trimethoxybenzene-1-sulfonyl chloride39614-62-53,4,5-Trimethoxybenzenesulfonyl chlorideMFCD05664176C9H11ClO5SBenzenesulfonyl chloride, 3,4,5-trimethoxy-SCHEMBL2368094MQSMMBMVEDEDQR-UHFFFAOYSA-NPBA61462AKOS027325277AT126583,4,5-trimethoxybenzenesulfonylchlorideBS-16704345-Trimethoxybenzene-1-sulfonyl chloride3,4,5-Trimethoxybenzene-1-sulfonylchlorideCS-0089124D74831EN300-1988207

REACTIONS