Methyl 2,4-dichlorobenzoate

HCID 37055CAS 35112-28-8

기본 정보

표준 SMILES: COC(=O)c1ccc(Cl)cc1Cl
InChIKey: VCRWILYAWSRHBN-UHFFFAOYSA-N
분자식: C8H6Cl2O2
평균 분자량: 205.03 g/mol
단동위원소 질량: 203.97448479

이름 및 식별자

우선 이름: Methyl 2,4-dichlorobenzoate
IUPAC: methyl 2,4-dichlorobenzoate
영어명: Methyl 2,4-dichlorobenzoate
분자식: C8H6Cl2O2
분자량: 205.04

이름 및 동의어

Methyl 2,4-dichlorobenzoate35112-28-8DTXSID60188611EINECS 252-374-1RefChem:812936DTXCID20111102252-374-1Methyl2,4-DichlorobenzoateMFCD00085117Benzoic acid, 2,4-dichloro-, methyl ester2,4-Dichlorobenzoic Acid Methyl EsterMETHYL-2,4-DICHLOROBENZOATE

이름 더 보기

RARECHEM AL BF 0019Methyle2, 4-dichlorobenzoateMethyl2,4-Dichlorobenzoate>Methyl 2,4-dichlorobenzoate 97%2,4-Dichloro-benzoic acid ethyl ester

Methyl ester of 2,4-Dichlorobenzoic acidAKOS002723300PS-4659SY017932D2855Q633953702,4-Dichlorobenzoic AciA822575

데이터베이스 식별자

CAS: 35112-28-8
PubChem CID: 37055
DTXSID: DTXSID60188611
UNII: H6U2F2339F
EC Number: 252-374-1
Nikkaji: J45.884H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 154 · 154-155℃
끓는 점: 239 °C · 239 °C (lit.)
밀도: 1.386 g/mL · 1.386 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.557(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: 1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey: VCRWILYAWSRHBN-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(Cl)cc1Cl

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.