HCID520935

2-Acetamido-5-bromobenzoic Acid

C9H8BrNO3258.07 g/molCAS 38985-79-4

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1ccc(Br)cc1C(=O)O
InChIKey: QVABAFHRLMDDLM-UHFFFAOYSA-N
分子式: C9H8BrNO3
平均分子量: 258.07 g/mol
单同位素质量: 256.96876

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 66.4 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 244

GHS

GHS分类

GHS Classification

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Hazard Classes and Categories

Acute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)

ALIASES

名称与别名

共 28 条

2-Acetamido-5-bromobenzoic acid2-(acetylamino)-5-bromobenzoic acidRefChem:462753622-246-338985-79-45-bromo-2-acetamidobenzoic acidMFCD000409042-Acetamino-5-bromobenzoic acidN-Acetyl-5-bromoanthranilic acidN-Acetyl-5-bromo-anthranilic acid2-ACETAMIDO-5-BROMOBENZOICACID2-Acetylamino-5-bromobenzoic acidSCHEMBL1113132-acetamido-5-bromo benzoic acid2-acetamido-5-bromo-benzoic acidNBA98579AKOS0026658112-Acetamido-5-bromobenzoic acid, 97%AS-60439Benzoic acid, 2-(acetylamino)-5-bromo-

REACTIONS