5-Bromo-2-methoxyphenylacetic acid

HCID 555306CAS 7017-48-3

기본 정보

표준 SMILES: COc1ccc(Br)cc1CC(=O)O
InChIKey: BBHBUJQFVCMESB-UHFFFAOYSA-N
분자식: C9H9BrO3
평균 분자량: 245.07 g/mol
단동위원소 질량: 243.97351

이름 및 식별자

우선 이름: 5-Bromo-2-methoxyphenylacetic acid
IUPAC: 2-(5-bromo-2-methoxyphenyl)acetic acid
영어명: 5-BROMO-2-METHOXYPHENYLACETIC ACID
분자식: C9H9BrO3
분자량: 245.07

이름 및 동의어

5-Bromo-2-methoxyphenylacetic acid7017-48-3RefChem:533308675-665-92-(5-bromo-2-methoxyphenyl)acetic acid(5-bromo-2-methoxyphenyl)acetic acidMFCD00016825Benzeneacetic acid, 5-bromo-2-methoxy-2-methoxy-5-bromophenylacetic acid(5-Bromo-2-methoxy-phenyl)-acetic acidCambridge id 6128138Oprea1_572105

이름 더 보기

RARECHEM AL BO 03372-(5-bromo-2-methoxyphenyl)ethanolJR-13632, 2-(5-Bromo-2-methoxyphenyl)acetic acid, 97%

SCHEMBL1543685-Bromo-2-MethoxyphenylaceticAciSTR054105-Bromo-2-methoxyphenyl acetic acidCL8799SBB017828ZH0012AKOS005144419

데이터베이스 식별자

CAS: 7017-48-3
PubChem CID: 555306
EC Number: 675-665-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 132 · 132-134°C
끓는 점: 353.3 · 353.3±27.0 °C(Predicted)
밀도: 1.56 · 1.560±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.97 · 3.97±0.10(Predicted)
물리적 상태: 고체
색상: 베이지색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.