CAS 6057-60-9 4-{[1,1'-Biphenyl]-4-yl}butanoic acid (HCID 11139230)

기본 정보

CAS: 6057-60-9
표준 SMILES: O=C(O)CCCc1ccc(-c2ccccc2)cc1
InChIKey: XSFAQQLHYUBFKV-UHFFFAOYSA-N
분자식: C16H16O2
평균 분자량: 240.3 g/mol
단동위원소 질량: 240.11502975

이름 및 식별자

우선 이름: 4-{[1,1'-Biphenyl]-4-yl}butanoic acid
IUPAC: 4-(4-phenylphenyl)butanoic acid
현지명: 4-(4-비페닐릴)부티르산
영어명: 4-(4-Biphenylyl)butyric acid
분자식: C16H16O2
분자량: 240.3

이름 및 동의어

4-([1,1'-Biphenyl]-4-yl)butanoic acid4-{[1,1'-Biphenyl]-4-yl}butanoic acid4-((1,1'-biphenyl)-4-yl)butanoic acidRefChem:508747899-201-14-(4-BIPHENYLYL)BUTYRIC ACID6057-60-94-(4-phenylphenyl)butanoic AcidMFCD03427545[1,1'-Biphenyl]-4-butanoic acid(1,1'-biphenyl)-4-butanoic acid4-(biphenyl-4-yl)butanoic acid

이름 더 보기

4-(4-비페닐릴)부티르산4-biphenyl-4-yl-butyric acidγ-(4-Biphenylyl)butyric acid4-Phenylbenzenebutanoic acid

4-(4-Biphenylyl)butyricacid4-Biphenyl Butanoic Acid4-(4-Biphenyl)butyric acidSCHEMBL16514134-(4-biphenylyl)-butyric acid4-(4-Biphenylyl)butanoic AcidCHEMBL5085595DTXSID30456672

데이터베이스 식별자

CAS: 6057-60-9
PubChem CID: 11139230
DTXSID: DTXSID30456672
ChEMBL: CHEMBL5085595
EC Number: 899-201-1
Nikkaji: J8.340B

물성

구조 계산 물성

XLogP: 4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 119.5 °C · 119.5°C
끓는 점: 343.02 °C · 343.02°C (rough estimate)
밀도: 1.0752 · 1.0752 (rough estimate)
굴절률: 1.629 · 1.6290 (estimate)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.