4'-Chloro[1,1'-biphenyl]-4-carbaldehyde

HCID 592570CAS 80565-30-6

기본 정보

표준 SMILES: O=Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIKey: UXCMNUUPBMYDLJ-UHFFFAOYSA-N
분자식: C13H9ClO
평균 분자량: 216.66 g/mol
단동위원소 질량: 216.03419259

이름 및 식별자

우선 이름: 4'-Chloro[1,1'-biphenyl]-4-carbaldehyde
IUPAC: 4-(4-chlorophenyl)benzaldehyde
영어명: 4'-Chlorobiphenyl-4-carbaldehyde
분자식: C13H9ClO
분자량: 216.66

이름 및 동의어

4'-Chloro[1,1'-biphenyl]-4-carbaldehyde4'-Chloro(1,1'-biphenyl)-4-carbaldehydeRefChem:506027800-325-580565-30-64'-Chlorobiphenyl-4-carbaldehyde4'-Chloro-[1,1'-biphenyl]-4-carbaldehyde4-(4-Chlorophenyl)benzaldehyde4'-CHLORO-BIPHENYL-4-CARBALDEHYDEMFCD016319114'-CHLOROBIPHENYL-4-CARBOXALDEHYDE[1,1'-Biphenyl]-4-carboxaldehyde, 4'-chloro-

이름 더 보기

AURORA KA-691AKOS BAR-0181AKOS BAR-00554-(2-CHLOROPHENYL)BENZALDEHYDE4-(2-CHLOROPHENYL)BENZALDEHYDE###NA2'-CHLORO[1,1'-BIPHENYL]-4-CARBALDEHYDE

AR2045SY014055CS-00602274-[4-Chlorophenyl]benzaldehyde4'-Chloro[1,1'-biphenyl]-4-carboxaldehyde; 4-(4-Chlorophenyl)benzaldehyde; 4'-Chloro-1,1'-biphenyl-4-carboxaldehyde; 4'-Chlorobiphenyl-4-carboxaldehyde;4'-Chloro-biphenyl-4-carboxaldehydeBB 0222402A839948

데이터베이스 식별자

CAS: 80565-30-6
PubChem CID: 592570
DTXSID: DTXSID30343831
EC Number: 800-325-5
Nikkaji: J852.882I

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 201

물리화학적 성질

녹는점: 115 · 115-118°C
끓는 점: 354.3 · 354.3±25.0 °C(Predicted)
밀도: 1.214 · 1.214±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 고체
색상: 옅은 노랑
안정성: 공기에 민감한
InChI: InChI=1S/C13H9ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChIKey: UXCMNUUPBMYDLJ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)=CC=C(C=O)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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.