Methyl 2-Chloro-4-fluorobenzoate

HCID 2763551

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85953-29-3
표준 SMILES: COC(=O)c1ccc(F)cc1Cl
InChIKey: YZDLPZNWBRBZMZ-UHFFFAOYSA-N
분자식: C8H6ClFO2
평균 분자량: 188.58 g/mol
단동위원소 질량: 188.00403533

이름 및 식별자

우선 이름: Methyl 2-Chloro-4-fluorobenzoate
IUPAC: methyl 2-chloro-4-fluorobenzoate
영어명: Methyl 2-chloro-4-fluorobenzoate
분자식: C8H6ClFO2
분자량: 188.58

이름 및 동의어

Methyl 2-chloro-4-fluorobenzoate85953-29-3DTXSID30377010RefChem:354184DTXCID40328038642-654-52-chloro-4-fluorobenzoic acid methyl esterMFCD00173937methyl 2-chloro-4-fluorobenzenecarboxylateBENZOIC ACID, 2-CHLORO-4-FLUORO-, METHYL ESTERAKOS005063974PB10114

이름 더 보기

RARECHEM AL BF 0289methyl 2-chloro-4-fluorob...Methyl2-chloro-4-fluorobenzoate97%Methyl 2-chloro-4-fluorobenzoate 97%

methyl (2-chloro-4-fluorophenyl)formate1T-1481Methyl2-chloro-4-fluorobenzoatemethyl 2-chloro-4-fluoro-benzoateAM20060393SCHEMBL164411orb3031292methy 2-chloro-4-fluorobenzoate

데이터베이스 식별자

CAS: 85953-29-3
PubChem CID: 2763551
DTXSID: DTXSID30377010
EC Number: 642-654-5
Nikkaji: J2.070.415B

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 110 °C · 110 °C
밀도: 1.314 · 1.314±0.06 g/cm3(Predicted)
굴절률: 1.515 to · 1.5150 to 1.5190
인화점: 103 · 103-105°C/15mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChIKey: YZDLPZNWBRBZMZ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(F)C=C1Cl

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)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.