에틸4-(트리플루오로메틸)-1H-피롤-3-카르복실레이트

ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

HCID 14370786

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 120732-04-9
표준 SMILES: CCOC(=O)c1c[nH]cc1C(F)(F)F
InChIKey: OPRFQUCZHDBZHE-UHFFFAOYSA-N
분자식: C8H8F3NO2
평균 분자량: 207.15 g/mol
단동위원소 질량: 207.05071316

이름 및 식별자

우선 이름: ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
IUPAC: ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
현지명: 에틸4-(트리플루오로메틸)-1H-피롤-3-카르복실레이트
영어명: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE
분자식: C8H8F3NO2
분자량: 207.15

이름 및 동의어

ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate120732-04-9DTXSID30559511RefChem:343804DTXCID60510291871-372-7MFCD09838835Ethyl4-(trifluoromethyl)-1H-pyrrole-3-carboxylateethyl-4-(trifluoromethyl)pyrrole-3-carboxylateSCHEMBL2185981VEA73204AKOS005071815

이름 더 보기

에틸4-(트리플루오로메틸)-1H-피롤-3-카르복실레이트-1H-pyrrole-3-carboxylateethyl 3-trifluoromethyl-1H-pyrrol-4-carboxylate3-(Ethoxycarbonyl)-4-(trifluoromethyl)-1H-pyrrole1H-Pyrrole-3-carboxylic acid, 4-(trifluoromethyl)-, ethyl ester

BD-0280CCG-355546SB62209SY1236564-trifluoromethyl-3-ethoxycarbonyl-1H-pyroleCS-00359173-ethoxycarbonyl-4-trifluoromethyl-1H-pyrroleEN300-129487

데이터베이스 식별자

CAS: 120732-04-9
PubChem CID: 14370786
DTXSID: DTXSID30559511
EC Number: 871-372-7

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 162 · 162-164°
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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