CAS 14548-44-8 4-Chlorophenyl pyridin-3-yl ketone (HCID 84518)

기본 정보

CAS: 14548-44-8
표준 SMILES: O=C(c1ccc(Cl)cc1)c1cccnc1
InChIKey: VZWGUDFNQIAHEY-UHFFFAOYSA-N
분자식: C12H8ClNO
평균 분자량: 217.65 g/mol
단동위원소 질량: 217.02944156

이름 및 식별자

우선 이름: 4-Chlorophenyl pyridin-3-yl ketone
IUPAC: (4-chlorophenyl)-pyridin-3-ylmethanone
현지명: 4-클로로페닐피리딘-3-일케톤
영어명: 4-chlorophenyl pyridin-3-yl ketone
분자식: C12H8ClNO
분자량: 217.65

이름 및 동의어

14548-44-84-Chlorophenyl pyridin-3-yl ketoneEINECS 238-584-6DTXSID10163054RefChem:522043DTXCID4085545238-584-6(4-Chlorophenyl)(Pyridin-3-Yl)Methanone3-(4-Chlorobenzoyl)pyridine3-[(4-chlorophenyl)carbonyl]pyridineMethanone, (4-chlorophenyl)-3-pyridinyl-(4-chlorophenyl)-pyridin-3-ylmethanone

이름 더 보기

4-클로로페닐피리딘-3-일케톤3-(p-Chlorobenzoyl)pyridineDexchlorpheniramine Impurity 4p-Chlorophenyl 3-pyridyl ketone4-CHLOROPHENYL 3-PYRIDYL KETONE(4-Chlorophenyl)(3-pyridinyl) ketone

MFCD00065043(4-Chlorophenyl)(3-pyridinyl)methanoneMethanone,(4-chlorophenyl)-3-pyridinyl-SCHEMBL6665398PAA54844(4-Chlorophenyl)-3-pyridinylmethanoneAKOS009339252(4-chlorophenyl)-(3-pyridyl)methanone

데이터베이스 식별자

CAS: 14548-44-8
PubChem CID: 84518
DTXSID: DTXSID10163054
EC Number: 238-584-6
Nikkaji: J236.136A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 224

물리화학적 성질

녹는점: 88 · 88-99 °C
끓는 점: 140 · 140-165 °C(Press: 1 Torr)
밀도: 1.26 · 1.260±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.8 · 2.80±0.10(Predicted)

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.