3-브로모-4-하이드록시페닐아세트산

3-Bromo-4-hydroxyphenylacetic acid

HCID 2769628CAS 38692-80-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)Cc1ccc(O)c(Br)c1
InChIKey: BFVCOQXPSXVGPS-UHFFFAOYSA-N
분자식: C8H7BrO3
평균 분자량: 231.04 g/mol
단동위원소 질량: 229.95786

이름 및 식별자

우선 이름: 3-Bromo-4-hydroxyphenylacetic acid
IUPAC: 2-(3-bromo-4-hydroxyphenyl)acetic acid
현지명: 3-브로모-4-하이드록시페닐아세트산
영어명: 3-Bromo-4-hydroxyphenylacetic acid
분자식: C8H7BrO3
분자량: 231.04

이름 및 동의어

3-Bromo-4-hydroxyphenylacetic acid38692-80-7U77FZB4AX8EINECS 254-089-8DTXSID20191984Benzeneacetic acid, 3-bromo-4-hydroxy-ACETIC ACID, (3-BROMO-4-HYDROXYPHENYL)-RefChem:93168DTXCID60114475254-089-82-(3-bromo-4-hydroxyphenyl)acetic acidMFCD00016833

이름 더 보기

3-브로모-4-하이드록시페닐아세트산3-Bromo-4-hydroxyphenyl

3-bromo-4-hydroxybenzeneacetic acid2-[3-bromo-4-hydroxyphenyl]acetic acid(3-bromo-4-hydroxyphenyl)acetic acid3-Bromo-4-hydroxyphenylaceticacid(3-Bromo-4-hydroxy-phenyl)-acetic acid2-(3-bromo-4-hydroxy-phenyl)acetic acidUNII-U77FZB4AX8SCHEMBL134713

데이터베이스 식별자

CAS: 38692-80-7
PubChem CID: 2769628
DTXSID: DTXSID20191984
UNII: U77FZB4AX8
EC Number: 254-089-8
Nikkaji: J267.296K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 105 · 105-107℃
끓는 점: 364 ℃ · 364℃
밀도: 1.757 · 1.757
인화점: 174 ℃ · 174℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.33 · 4.33±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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.