(1,1'-Biphenyl)-2-carboxaldehyde

HCID 121052CAS 1203-68-5

기본 정보

표준 SMILES: O=Cc1ccccc1-c1ccccc1
InChIKey: LCRCBXLHWTVPEQ-UHFFFAOYSA-N
분자식: C13H10O
평균 분자량: 182.22 g/mol
단동위원소 질량: 182.07316494

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-2-carboxaldehyde
IUPAC: 2-phenylbenzaldehyde
영어명: 2-Biphenylcarboxaldehyde
분자식: C13H10O
분자량: 182.22

이름 및 동의어

2-Biphenylcarboxaldehyde2-Difenilaldeide2-Difenilaldeide [Italian](1,1'-Biphenyl)-2-carboxaldehydeBRN 2081880[1,1'-Biphenyl]-2-carboxaldehydeRefChem:391050627-829-62-Phenylbenzaldehyde1203-68-5Biphenyl-2-carboxaldehyde[1,1'-biphenyl]-2-carbaldehyde

이름 더 보기

2-FORMYL-BIPHENYL1,1'-Biphenyl]-2-carbaldehydeBiphenyl-2-carboxaldehyde 96%(1,1’-biphenyl)-2-carboxaldehyde

BiphenylcarboxaldehydeMFCD017404312-formyl-1,1'-biphenyl(1,1'-Biphenyl)carboxaldehyde[1,1'-Biphenyl]carboxaldehydeBiphenyl-2-carbaldehyde55171-99-8biphenylaldehyde

데이터베이스 식별자

CAS: 1203-68-5、55171-99-8
PubChem CID: 121052
DTXSID: DTXSID80923309
ChEMBL: CHEMBL124879
EC Number: 627-829-6
Nikkaji: J632.182H

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 202 °C · 202 °C
끓는 점: 91 · 91-92 °C/0.15 mmHg (lit.)
밀도: 1.13 g/mL · 1.130 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D >1.6220(lit.)
인화점: 215 °F · 215 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 투명한 액체
InChI: InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H
InChIKey: LCRCBXLHWTVPEQ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=CC=C1C=O

화학적 성질

2-Biphenylcarboxaldehyde is Clear Liquid

안전 및 규제

안전 데이터

wgk: 3
rtecs: DV1771000
독성: mouse,LD50,unreported,> 1500mg/kg (1500mg/kg),Farmaco, Edizione Scientifica. Vol. 19, Pg. 964, 1964.
HS 번호: 29122990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Biphenylcarboxaldehyde is a reactant used in the preparation of imidazoquinoline derivatives, a class of microsomal prostaglandin E2 synthase-1 inhibitors. 2-Biphenylcarboxaldehyde is also used in the p reparation of phenoxybenzylamino carboline derivatives as potential antitumor drugs targeting α-tubulin.

일반 설명Biphenyl-2-carboxaldehyde is an oxygen-containing polycyclic aromatic hydrocarbon derivative (OPAH). It can be prepared via Suzuki cross-coupling reaction between phenyl boronic acid and 2-bromobenzaldehyde.