메틸6-클로로-4-(트리플루오로메틸)니코티네이트

Methyl 6-chloro-4-(trifluoromethyl)nicotinate

HCID 2775340

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 261635-79-4
표준 SMILES: COC(=O)c1cnc(Cl)cc1C(F)(F)F
InChIKey: CFJDLJIDLYBQQY-UHFFFAOYSA-N
분자식: C8H5ClF3NO2
평균 분자량: 239.58 g/mol
단동위원소 질량: 238.99609074

이름 및 식별자

우선 이름: Methyl 6-chloro-4-(trifluoromethyl)nicotinate
IUPAC: methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
현지명: 메틸6-클로로-4-(트리플루오로메틸)니코티네이트
영어명: Methyl 6-chloro-4-(trifluoromethyl)nicotinate
분자식: C8H5ClF3NO2
분자량: 239.58

이름 및 동의어

METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE261635-79-4DTXSID10379532RefChem:356289DTXCID20330558671-232-3methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylateMFCD019413153-Pyridinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-, methyl esterAKOS015851235PS-11258methyl-6-chloro-4-(trifluoromethyl)nicotinate

이름 더 보기

메틸6-클로로-4-(트리플루오로메틸)니코티네이트Methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate, 6-Chloro-3-(methoxycarbonyl)-4-(trifluoromethyl)pyridine

methyl 6-chloro-4-(trifluoromethyl)-nicotinate6-chloro-4-trifluoromethyl-nicotinic acid methyl esterSCHEMBL473983BBL102191SBB099139STL555990SY062649methyl 6-chloro-4-trifluoromethylnicotinate

데이터베이스 식별자

CAS: 261635-79-4
PubChem CID: 2775340
DTXSID: DTXSID10379532
EC Number: 671-232-3

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 247

물리화학적 성질

끓는 점: 106 · 106-108°C 20mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 투명한

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.