(3-Chloropropyl)benzene

HCID 7706CAS 104-52-9

기본 정보

표준 SMILES: ClCCCc1ccccc1
InChIKey: XZBXAYCCBFTQHH-UHFFFAOYSA-N
분자식: C9H11Cl
평균 분자량: 154.63 g/mol
단동위원소 질량: 154.05492803

이름 및 식별자

우선 이름: (3-Chloropropyl)benzene
IUPAC: 3-chloropropylbenzene
영어명: 1-Chloro-3-phenylpropane
분자식: C9H11Cl
분자량: 154.64

이름 및 동의어

1-Chloro-3-phenylpropane(3-CHLOROPROPYL)BENZENE104-52-93-Phenylpropyl chlorideBenzene, (3-chloropropyl)-3-Phenyl-1-chloropropane3-Chloro-1-phenylpropane.gamma.-Chloropropylbenzene.gamma.-Phenylpropyl chlorideE2L2KN77K8AI3-23863EINECS 203-210-2

이름 더 보기

Alverine ImpurityAlverine Impurity A1-Chloro-3-phenylpro3-Penylpropylchloride(3-Chlorpropyl)benzolAlverine EP Impurity A-Chloro-3-phenylpropane1-Choro-3-phenylpropane

NSC 16939NSC-16939DTXSID10146206ALVERINE CITRATE IMPURITY A [EP IMPURITY]gamma-ChloropropylbenzeneALVERINE CITRATE IMPURITY A (EP IMPURITY)gamma-Phenylpropyl chlorideRefChem:400117

데이터베이스 식별자

CAS: 104-52-9
PubChem CID: 7706
DTXSID: DTXSID10146206
ChEMBL: CHEMBL1234093
UNII: E2L2KN77K8
EC Number: 203-210-2
Nikkaji: J100.166C

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 74.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

LogP3.55

물리화학적 성질

녹는점: -27 °C · -27 °C
끓는 점: 219 °C · 219 °C (lit.)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.521(lit.)
인화점: 189 °F · 189 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
수용성: 약간 용해됨
BRN: 507635 · 507635
InChI: InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey: XZBXAYCCBFTQHH-UHFFFAOYSA-N
SMILES: C1(CCCCl)=CC=CC=C1
NIST: Benzene, (3-chloropropyl)-(104-52-9)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5.7% (3 of 53) of reports.

Warning

H315 (92.5%): 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.