클로로메틸p-톨릴케톤

2-Chloro-1-(4-methylphenyl)ethan-1-one

HCID 237805

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4209-24-9
표준 SMILES: Cc1ccc(C(=O)CCl)cc1
InChIKey: HGLJRZYKFVJSEE-UHFFFAOYSA-N
분자식: C9H9ClO
평균 분자량: 168.62 g/mol
단동위원소 질량: 168.03419259

이름 및 식별자

우선 이름: 2-Chloro-1-(4-methylphenyl)ethan-1-one
IUPAC: 2-chloro-1-(4-methylphenyl)ethanone
현지명: 클로로메틸p-톨릴케톤
영어명: 2-Chloro-1-p-tolyl-ethanone
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

4209-24-92-chloro-1-(4-methylphenyl)ethanone2-chloro-1-(4-methylphenyl)ethan-1-oneDTXSID10285402ethanone, 2-chloro-1-(4-methylphenyl)-RefChem:468425DTXCID90236553840-211-2InChI=1/C9H9ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H2-chloro-1-p-tolyl-ethanone2-Chloro-1-(p-tolyl)ethanoneChloromethyl p-tolyl ketone

이름 더 보기

클로로메틸p-톨릴케톤Chloro-1-p-tolyl-ethanone4'-Methyl-2-chloroacetophenoneA-CHLORO-4-METHYL ACETOPHENONEα-Chloro-4'-methylacetophenone

4-(2-Chloroacetyl)tolueneMFCD009720942-chloro-1-(p-tolyl)ethan-1-onep-methylphenacyl chloridep-Methyl-2-chloroacetophenone2-Chloro-4'-MethylacetophenoneNSC416674-methylphenacylchloride

데이터베이스 식별자

CAS: 4209-24-9
PubChem CID: 237805
DTXSID: DTXSID10285402
EC Number: 840-211-2
Nikkaji: J135.059E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 57.5 °C · 57.5°C
끓는 점: 238.18 °C · 238.18°C (rough estimate)
밀도: 1.1115 · 1.1115 (rough estimate)
굴절률: 1.562 · 1.5620 (estimate)
InChI: InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
InChIKey: HGLJRZYKFVJSEE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C)C=C1)CCl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]

P233, P234, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

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