HCID63839508

Methyl 3-bromo-5-sulfamoylbenzoate

C8H8BrNO4S294.12 g/molCAS 1343983-13-0

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IDENTITY

结构与身份

标准 SMILES: COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIKey: FZNAQWBSGZYMQM-UHFFFAOYSA-N
分子式: C8H8BrNO4S
平均分子量: 294.12 g/mol
单同位素质量: 292.93574

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 94.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 337

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 8 条

methyl 3-bromo-5-sulfamoylbenzoate1343983-13-0SCHEMBL19518886methyl3-bromo-5-sulfamoylbenzoateTDC98313GS1070AKOS013152288EN300-115507

REACTIONS

参与反应

608 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID993488

Chan-Lam coupling of primary sulfonamides with boronic acids

作为反应物