4-메톡시-3-(트리플루오로메틸)벤조일염화물

4-Methoxy-3-(trifluoromethyl)benzoyl chloride

HCID 2775298

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98187-18-9
표준 SMILES: COc1ccc(C(=O)Cl)cc1C(F)(F)F
InChIKey: PBKYPTQBAQQVPT-UHFFFAOYSA-N
분자식: C9H6ClF3O2
평균 분자량: 238.59 g/mol
단동위원소 질량: 238.00084177

이름 및 식별자

우선 이름: 4-Methoxy-3-(trifluoromethyl)benzoyl chloride
IUPAC: 4-methoxy-3-(trifluoromethyl)benzoyl chloride
현지명: 4-메톡시-3-(트리플루오로메틸)벤조일염화물
영어명: 4-METHOXY-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
분자식: C9H6ClF3O2
분자량: 238.59

이름 및 동의어

4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-9DTXSID60379507RefChem:293851DTXCID20330533638-965-0MFCD016315764-Methoxy-3-(trifluoromethyl)benzoylchlorideSCHEMBL1190600SBB098981AKOS0052575834Methoxy-3-trifluoromethylbenzoyl chloride

이름 더 보기

4-메톡시-3-(트리플루오로메틸)벤조일염화물3-TRIFLUOROMETHYL-P-ANISOYL CHLORIDE5-(Chlorocarbonyl)-2-methoxybenzotrifluorideBenzoyl chloride, 4-methoxy-3-(trifluoromethyl)-5-(Chlorocarbonyl)-2-methoxybenzotrifluoride, 4-(Chlorocarbonyl)-2-(trifluoromethyl)anisole

AC-26057PS-107244-Methoxy-3-trifluoromethylbenzoyl chloride4-methoxy-5-trifluoromethylbenzoyl chloride3-trifluoromethyl-4-methoxy-benzoyl chloride4-methoxy-3-(trifluromethyl)benzoyl chloride4-methoxy-3-trifluoromethyl benzoyl chloride4-methoxy-3-trifluoromethyl-benzoyl chloride

데이터베이스 식별자

CAS: 98187-18-9
PubChem CID: 2775298
DTXSID: DTXSID60379507
EC Number: 638-965-0

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

끓는 점: 283.6 · 283.6±40.0 °C(Predicted)
밀도: 1.376 · 1.376±0.06 g/cm3(Predicted)
굴절률: 1.515 · 1.515
물리적 상태: 액체
색상: Clear, almost colourless

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.