2-Acetamido-5-bromobenzoic Acid

HCID 520935CAS 38985-79-4

기본 정보

표준 SMILES: CC(=O)Nc1ccc(Br)cc1C(=O)O
InChIKey: QVABAFHRLMDDLM-UHFFFAOYSA-N
분자식: C9H8BrNO3
평균 분자량: 258.07 g/mol
단동위원소 질량: 256.96876

이름 및 식별자

우선 이름: 2-Acetamido-5-bromobenzoic Acid
IUPAC: 2-acetamido-5-bromobenzoic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 244

안전 및 규제

GHS 분류

GHS Classification · 5건

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.