3-히드록시-5-트리플루오로메틸티오펜-2-카르복실산

3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid

HCID 2759348CAS 217959-85-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1sc(C(F)(F)F)cc1O
InChIKey: VPXDRKKLIQLLJO-UHFFFAOYSA-N
분자식: C6H3F3O3S
평균 분자량: 212.15 g/mol
단동위원소 질량: 211.97549962

이름 및 식별자

우선 이름: 3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
IUPAC: 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
현지명: 3-히드록시-5-트리플루오로메틸티오펜-2-카르복실산
영어명: 3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic
분자식: C6H3F3O3S
분자량: 212.15

이름 및 동의어

217959-85-83-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic acid3-Hydroxy-5-trifluoromethylthiophene-2-carboxylicMFCD058643655-(Trifluoromethyl)-3-hydroxythiophene-2-carboxylic acidC6H3F3O3S3-Hydroxy-5-trifluoromethylthiophene-2-carboxylicacidSCHEMBL8338512-Thiophenecarboxylicacid, 3-hydroxy-5-(trifluoromethyl)-DTXSID40374752VPXDRKKLIQLLJO-UHFFFAOYSA-N

이름 더 보기

3-히드록시-5-트리플루오로메틸티오펜-2-카르복실산2-Thiophenecarboxylic acid, 3-hydroxy-5-(trifluoroMethyl)-

AKOS005259329AB22766FS-1685SY238559DB-006462F022033(3-Hydroxy-5-trifluoromethylthien-2-yl)-carboxylic acid3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylicacid

데이터베이스 식별자

CAS: 217959-85-8
PubChem CID: 2759348
DTXSID: DTXSID40374752
EC Number: 675-254-4
Nikkaji: J1.375.050E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 85.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 132 °C · 132°C
저장 조건: 2 · 2-8°C, stored under nitrogen

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.