2,4,5-트리플루오로-3-메톡시벤조일클로라이드

2,4,5-Trifluoro-3-methoxybenzoyl chloride

HCID 2775281CAS 112811-66-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1c(F)c(F)cc(C(=O)Cl)c1F
InChIKey: JVQSZTJTWSUJCR-UHFFFAOYSA-N
분자식: C8H4ClF3O2
평균 분자량: 224.56 g/mol
단동위원소 질량: 223.98519171

이름 및 식별자

우선 이름: 2,4,5-Trifluoro-3-methoxybenzoyl chloride
IUPAC: 2,4,5-trifluoro-3-methoxybenzoyl chloride
현지명: 2,4,5-트리플루오로-3-메톡시벤조일클로라이드
영어명: 2,4,5-Trifluoro-3-methoxybenzoyl chloride
분자식: C8H4ClF3O2
분자량: 224.56

이름 및 동의어

2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-2DTXSID90379494RefChem:245563DTXCID90330520629-469-53-methoxy-2,4,5-trifluorobenzoyl chlorideMoxifloxacin Impurity 1Benzoyl chloride, 2,4,5-trifluoro-3-methoxy-MFCD026820122,4,5-trifluoro-3-methoxy-benzoyl chlorideGatifloxacin Impurity 5

이름 더 보기

2,4,5-트리플루오로-3-메톡시벤조일클로라이드SKL13122,4,5-Trifluoro-3-meMoxifloxacin Impurity 50(Not Continue)2,4,5-tifluoro-3-MethoxybenzoylchlorideBenzoyl chloride,2,4,5-trifluoro-3-methoxy-2,4,5-Trifluoro-3-methoxybenzoyl chloride 97%2,4,5-Trifluoro-3-Methoxybenzoyl chloride,97%2,4,5-Trifluoro-3-methoxybenzoyl chloride (Moxifloxacin Impurity)

SCHEMBL605762JVQSZTJTWSUJCR-UHFFFAOYSA-NSBB067898AKOS0158897822,4,5-trifluoro-3-methoxybenzoylchloridePS-10683SY263676DB-019809

데이터베이스 식별자

CAS: 112811-66-2
PubChem CID: 2775281
DTXSID: DTXSID90379494
EC Number: 629-469-5
Nikkaji: J1.630.038A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 227

물리화학적 성질

끓는 점: 229.2 · 229.2±35.0 °C(Predicted)
밀도: 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 126 °F · 126 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 액체
색상: Clear, colourless
InChI: InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
InChIKey: JVQSZTJTWSUJCR-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC(F)=C(F)C(OC)=C1F

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.

Danger

H314 (51.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.