4-Chlorophenyl cyclopropyl ketone

HCID 81148CAS 6640-25-1

기본 정보

표준 SMILES: O=C(c1ccc(Cl)cc1)C1CC1
InChIKey: OPSFCTBBDIDFJM-UHFFFAOYSA-N
분자식: C10H9ClO
평균 분자량: 180.63 g/mol
단동위원소 질량: 180.03419259

이름 및 식별자

우선 이름: 4-Chlorophenyl cyclopropyl ketone
IUPAC: (4-chlorophenyl)-cyclopropylmethanone
영어명: 4-Chlorophenyl cyclopropyl ketone
분자식: C10H9ClO
분자량: 180.63

이름 및 동의어

4-Chlorophenyl cyclopropyl ketoneEINECS 229-655-2DTXSID40216623NSC 49315RefChem:522027DTXCID70139114229-655-26640-25-1(4-Chlorophenyl)(cyclopropyl)methanone4-ChlorobenzoylcyclopropaneMFCD00001295(4-chlorophenyl)-cyclopropylmethanone

이름 더 보기

4-Chlorophenylc4-Chlorophenyl cyclo4-Chlorophenyl cyclopropyl keoneCYCLOPROPYL-4-CHLOROPHENYL KETONE4-Chlorophenylcyclopropylketone,98%2-Chloropyrid-5-ylcyclopropylketone(4-chlorophenyl)cycloproylmethanone

Methanone, (4-chlorophenyl)cyclopropyl-(4-Chlorophenyl)cyclopropylmethanonep-Chlorophenyl cyclopropyl ketoneNSC-49315(4-Chlorobenzoyl)cyclopropaneNSC49315(4-chlorophenyl)-cyclopropyl-methanone4-CHLOROPHENYLCYCLOPROPYLMETHANONE

데이터베이스 식별자

CAS: 6640-25-1
PubChem CID: 81148
DTXSID: DTXSID40216623
ChEMBL: CHEMBL2251575
UNII: 2GKN75SXH7
EC Number: 229-655-2
Nikkaji: J298.033I

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 29 · 29-31 °C(lit.)
끓는 점: 135 · 135-137°C 10mm
밀도: 1.16 · 1.16
굴절률: 20 · n20/D 1.5718(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow to Orange
BRN: 2044845 · 2044845
InChI: InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey: OPSFCTBBDIDFJM-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(C1CC1)=O
NIST: 4 · 4-Chlorophenyl cyclopropyl ketone(6640-25-1)

화학적 성질

CLEAR YELLOWISH LIQUID AFTER MELTING

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.