4-Hydroxy-(1,1'-biphenyl)-3-carbaldehyde

HCID 12264658

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1761-63-3
표준 SMILES: O=Cc1cc(-c2ccccc2)ccc1O
InChIKey: NAUBSKHQFFCEMQ-UHFFFAOYSA-N
분자식: C13H10O2
평균 분자량: 198.22 g/mol
단동위원소 질량: 198.06807956

이름 및 식별자

우선 이름: 4-Hydroxy-(1,1'-biphenyl)-3-carbaldehyde
IUPAC: 2-hydroxy-5-phenylbenzaldehyde
영어명: 2-Formyl-4-phenylphenol
분자식: C13H10O2
분자량: 198.22

이름 및 동의어

4-Hydroxy-[1,1'-biphenyl]-3-carbaldehyde4-Hydroxy-(1,1'-biphenyl)-3-carbaldehydeRefChem:523665960-325-72-hydroxy-5-phenylbenzaldehyde1761-63-32-Formyl-4-phenylphenol4-Hydroxybiphenyl-3-carbaldehydeMFCD00579079[1,1'-Biphenyl]-3-carboxaldehyde, 4-hydroxy-4-Hydroxy[1,1'-biphenyl]-3-carbaldehyde5-phenylsalicylaldehyde

이름 더 보기

4-Hydroxy-[1,1''-biphenyl]-3-carbaldehyde

3-formyl-4-hydroxybiphenyl5-Phenyl-2-hydroxybenzaldehydeSCHEMBL17111182-hydroxy-5-phenyl-benzaldehydeSCHEMBL11489554SCHEMBL30362773DTXSID10483067NAUBSKHQFFCEMQ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 1761-63-3
PubChem CID: 12264658
DTXSID: DTXSID10483067
EC Number: 960-325-7
Nikkaji: J1.482.888E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 209

물리화학적 성질

녹는점: 101 · 101-102 °C
끓는 점: 331.1 · 331.1±30.0 °C(Predicted)
밀도: 1.202 · 1.202±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.08 · 8.08±0.18(Predicted)

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, 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.