3-플루오로-4-하이드록시페닐아세트 산

3-Fluoro-4-hydroxybenzeneacetic acid

HCID 68014CAS 458-09-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)Cc1ccc(O)c(F)c1
InChIKey: YRFBZAHYMOSSGX-UHFFFAOYSA-N
분자식: C8H7FO3
평균 분자량: 170.14 g/mol
단동위원소 질량: 170.0379223

이름 및 식별자

우선 이름: 3-Fluoro-4-hydroxybenzeneacetic acid
IUPAC: 2-(3-fluoro-4-hydroxyphenyl)acetic acid
현지명: 3-플루오로-4-하이드록시페닐아세트 산
영어명: 3-Fluoro-4-hydroxyphenylacetic acid
분자식: C8H7FO3
분자량: 170.14

이름 및 동의어

3-Fluoro-4-hydroxyphenylacetic acid458-09-33-Fluoro-4-hydroxybenzeneacetic acid66Z6BY4G4EDTXSID30196622RefChem:5017603-FPACDTXCID70119113207-275-82-(3-fluoro-4-hydroxyphenyl)acetic acid(3-fluoro-4-hydroxyphenyl)acetic acidMFCD00004348

이름 더 보기

3-플루오로-4-하이드록시페닐아세트산4-(Carboxymethyl)-2-fluorophenol3-Fluoro-4-HydroxyphenylaceticAci3-Fluoro-4-hydroxyphenylacetic acid,98%4-(Carboxymethyl)-2-fluorophenol, (3-Fluoro-4-hydroxyphenyl)acetic acid

Benzeneacetic acid, 3-fluoro-4-hydroxy-MLS0000286452-(3-fluoro-4-hydroxy-phenyl)acetic acidSMR000059137(3-Fluoro-4-hydroxy-phenyl)-acetic acid3-Fluoro-4-hydroxyphenylaceticacidEINECS 207-275-8(3-fluoro-4-hy

데이터베이스 식별자

CAS: 458-09-3
PubChem CID: 68014
DTXSID: DTXSID30196622
UNII: 66Z6BY4G4E
EC Number: 207-275-8
Nikkaji: J196.169A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 132 · 132-134 °C (lit.)
끓는 점: 320.3 · 320.3±27.0 °C(Predicted)
밀도: 1.423 · 1.423±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.3 · 4.30±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
InChI: 1S/C8H7FO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey: YRFBZAHYMOSSGX-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(O)c(F)c1

화학적 성질

White to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.