4'-Chloropropiophenone (HCID 22697)

이름 및 식별자

우선 이름: 4'-Chloropropiophenone
IUPAC: 1-(4-chlorophenyl)propan-1-one
영어명: 4'-Chloropropiophenone
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

4'-Chloropropiophenonep-Chloropropiophenone4-Chloropropiophenone1-Propanone, 1-(4-chlorophenyl)-PROPIOPHENONE, 4'-CHLORO-Ethyl p-chlorophenyl ketonePropiophenone, p-chloro-Ethyl 4-chlorophenyl ketoneUSAF EK-52961-(4-Chlorophenyl)-1-propanoneDTXSID1048203NSC 5600

이름 더 보기

1-(4-CHLOROPHENYL)PROPAN-2-ONEchloropropiophenone1-(4-CHLORO-PHENYL)-PROPAN-1-ONEusafek-5296AKOS B0285674-chlorophenone4 '-chloroacetoneART-CHEM-BB B028567

26AY8WJA1E1-(4-chlorophenyl)propane-1-oneNSC-5600EINECS 228-511-6UNII-26AY8WJA1EBRN 1100638AI3-23870DTXCID9028178

데이터베이스 식별자

CAS: 6285-05-8
PubChem CID: 22697
DTXSID: DTXSID1048203
ChEMBL: CHEMBL2251218
UNII: 26AY8WJA1E
EC Number: 228-511-6
Nikkaji: J34.493A

물성

구조 계산 물성

XLogP: 3
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 35 · 35-37 °C(lit.)
끓는 점: 95 · 95-97 °C1 mm Hg(lit.)
밀도: 1.151 · 1.151
굴절률: 1.5325 · 1.5325-1.5345
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 불용성
BRN: 1100638 · 1100638
InChI: InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(=O)CC
LogP: 2.4 · 2.4
NIST: 1 · 1-Propanone, 1-(4-chlorophenyl)-(6285-05-8)
EPA: 1 · 1-Propanone, 1-(4-chlorophenyl)- (6285-05-8)

화학적 성질

CRYSTALLINE MASS

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34022

1-Propanone, 1-(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UG9275000
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
포장분류: II
기존화학 물질: KE-05886
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanone, 1-(4-chlorophenyl)-: INACTIVE

응용 분야

용도4'-Chloropropiophenone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.