메틸3-클로로-4-메틸벤조에이트

Methyl 3-Chloro-4-methylbenzoate

HCID 2801405

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56525-63-4
표준 SMILES: COC(=O)c1ccc(C)c(Cl)c1
InChIKey: KTFQDZCNPGFKAH-UHFFFAOYSA-N
분자식: C9H9ClO2
평균 분자량: 184.62 g/mol
단동위원소 질량: 184.02910721

이름 및 식별자

우선 이름: Methyl 3-Chloro-4-methylbenzoate
IUPAC: methyl 3-chloro-4-methylbenzoate
현지명: 메틸3-클로로-4-메틸벤조에이트
영어명: Methyl 3-chloro-4-methylbenzoate
분자식: C9H9ClO2
분자량: 184.62

이름 및 동의어

Methyl 3-Chloro-4-methylbenzoate56525-63-4DTXSID70384243RefChem:354934DTXCID40335267639-391-3Benzoic acid, 3-chloro-4-methyl-, methyl esterMethyl-3-chloro-4-methylbenzoateMFCD00205141Methyl 3-Chloro-p-toluate3-Chloro-4-methylbenzoic Acid Methyl Estermethyl-3-chloro-4-metylbenzoate

이름 더 보기

메틸3-클로로-4-메틸벤조에이트Methyl 3-chloro-4-meMethyl4-Methyl-3-ChlorobenzoateMethyl 3Chioro-4-Methyl benzoateMethyl3-Chloro-4-methylbenzoate>2-Chloro-4-(methoxycarbonyl)toluene3-Chloro-p-toluic Acid Methyl EsterMethyl 3-chloro-4-methylbenzoate 97%3-Chloro-4-methylbenzoic acidmethylester

AKOS009158184AC-5778FS-2596SY003376M2136Methyl3-chloro-4-methylbenzoatemethyl 3-chloro-4-methyl-benzoateMethyl 4-methyl-3-ch

데이터베이스 식별자

CAS: 56525-63-4
PubChem CID: 2801405
DTXSID: DTXSID70384243
EC Number: 639-391-3

물성

구조 계산 물성

XLogP: 3.5
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: 170

물리화학적 성질

녹는점: 28 · 28-29°C
끓는 점: 68 °C · 68 °C
밀도: 1.186 · 1.186±0.06 g/cm3(Predicted)
인화점: 119 · 119-120°C/10mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump
색상: 흰색에서 거의 흰색
InChIKey: KTFQDZCNPGFKAH-UHFFFAOYSA-N

화학적 성질

White or red powder

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.