메틸3-하이드록시-5-트리플루오로메틸티오펜-2-카르복실레이트

Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate

HCID 2759855

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 157162-16-8
표준 SMILES: COC(=O)c1sc(C(F)(F)F)cc1O
InChIKey: FUICUPYQNGFYSP-UHFFFAOYSA-N
분자식: C7H5F3O3S
평균 분자량: 226.17 g/mol
단동위원소 질량: 225.99114968

이름 및 식별자

우선 이름: Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
IUPAC: methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
현지명: 메틸3-하이드록시-5-트리플루오로메틸티오펜-2-카르복실레이트
영어명: Methyl 3-hydroxy-5-trifluoromethylthiophene-2-carboxylate
분자식: C7H5F3O3S
분자량: 226.17

이름 및 동의어

157162-16-8Methyl 3-Hydroxy-5-trifluoromethylthiophene-2-carboxylatemethyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylateMFCD058643643-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester2-thiophenecarboxylic acid, 3-hydroxy-5-(trifluoromethyl)-, methyl esterSCHEMBL281723DTXSID70374947FS-1684CS-01877963-Hydroxy-5-trifluoromethyl-thiophene-2-carboxylic acid methyl esterSBB073657

이름 더 보기

메틸3-하이드록시-5-트리플루오로메틸티오펜-2-카르복실레이트methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylMethyl 3-Hydroxy-5-trifluoromethyl-2-thiophenecarboxylate2-Thiophenecarboxylic acid, 3-hydroxy-5-(trifluoromethyl)-, meth

STL415031AKOS005169555AB22765SY420934E10182EN300-232602F022032Methyl 3-Hydroxy-5-trifluoromethylthiophene-2-carbo

데이터베이스 식별자

CAS: 157162-16-8
PubChem CID: 2759855
DTXSID: DTXSID70374947
EC Number: 675-247-6
Nikkaji: J840.124A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 74.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 231

물리화학적 성질

끓는 점: 62 °C/3mm · 62°C/3mm
밀도: 1.52 g/ml · 1.52g/ml
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 8.47 · 8.47±0.15(Predicted)

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.