4-HYDROXY-3-(TRIFLUOROMETHYL)벤조산

4-Hydroxy-3-(trifluoromethyl)benzoic acid

HCID 2775112

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 220239-68-9
표준 SMILES: O=C(O)c1ccc(O)c(C(F)(F)F)c1
InChIKey: DPVRVZQEDJVWLS-UHFFFAOYSA-N
분자식: C8H5F3O3
평균 분자량: 206.12 g/mol
단동위원소 질량: 206.01907868

이름 및 식별자

우선 이름: 4-Hydroxy-3-(trifluoromethyl)benzoic acid
IUPAC: 4-hydroxy-3-(trifluoromethyl)benzoic acid
현지명: 4-HYDROXY-3-(TRIFLUOROMETHYL)벤조산
영어명: 4-Hydroxy-3-(trifluoromethyl)benzoic acid
분자식: C8H5F3O3
분자량: 206.12

이름 및 동의어

4-hydroxy-3-(trifluoromethyl)benzoic Acid220239-68-9DTXSID50944627RefChem:523804DTXCID601372967630-267-44-hydroxy-3-trifluoromethylbenzoic acid239-68-9MFCD01091008Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-4-Hydroxy-3-(trifluoromethyl)benzoicacidSCHEMBL402677

이름 더 보기

4-HYDROXY-3-(TRIFLUOROMETHYL)벤조산4-Carboxy-2-(trifluoromethyl)phenol, 5-Carboxy-2-hydroxybenzotrifluoride

RARECHEM AL BE 1191CL8122SBB093589AKOS005254222CS-W006216FH67495FS-13184-hydroxy-3-trifluoromethyl-benzoic acid

데이터베이스 식별자

CAS: 220239-68-9
PubChem CID: 2775112
DTXSID: DTXSID50944627
EC Number: 630-267-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 144 · 144-147°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
색상: 크림색

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.