2-Acetamido-5-bromobenzoic Acid

HCID 520935CAS 38985-79-4

基本情報

標準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
単同位体質量: 256.96876

名称と識別子

優先名称: 2-Acetamido-5-bromobenzoic Acid
IUPAC: 2-acetamido-5-bromobenzoic acid

名称と別名

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 acid

名称をさらに表示

SCHEMBL1113132-acetamido-5-bromo benzoic acid2-acetamido-5-bromo-benzoic acidNBA98579AKOS0026658112-Acetamido-5-bromobenzoic acid, 97%AS-60439Benzoic acid, 2-(acetylamino)-5-bromo-

データベース識別子

CAS: 38985-79-4
PubChem CID: 520935
EC Number: 622-246-3
Nikkaji: J2.761.631C

物性

構造計算による物性

XLogP: 2.6
極性表面積: 66.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 244

安全と法規制

GHS分類

GHS Classification · 5 件

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.