4'-히드록시-4-비페닐카르복실산

4'-Hydroxy-4-biphenylcarboxylic acid

HCID 301556CAS 58574-03-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
분자식: C13H10O3
평균 분자량: 214.22 g/mol
단동위원소 질량: 214.06299418

이름 및 식별자

우선 이름: 4'-Hydroxy-4-biphenylcarboxylic acid
IUPAC: 4-(4-hydroxyphenyl)benzoic acid
현지명: 4'-히드록시-4-비페닐카르복실산
영어명: 4'-Hydroxy-4-biphenylcarboxylic acid
분자식: C13H10O3
분자량: 214.22

이름 및 동의어

58574-03-14'-Hydroxy-4-biphenylcarboxylic acidDTXSID60306717RefChem:506142DTXCID90257844628-295-7InChI=1/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,164-(4-Hydroxyphenyl)benzoic acid4'-Hydroxy-[1,1'-biphenyl]-4-carboxylic acid4'-Hydroxybiphenyl-4-carboxylic Acid4-Hydroxy-4'-biphenylcarboxylic acidMFCD00059078

이름 더 보기

4'-히드록시-4-비페닐카르복실산AKOS BAR-1038RARECHEM AL BO 05374'-Hydroxy-4-biphenyL4-(4-CARBOXYPHENYL)-PHENOL4'-Hydroxy-4-biphenylcarbox4-(4-hydroxycyclohexyl)benzoate

[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-4'-Hydroxy biphenyl-4-carboxylic acid4'-Hydroxy[1,1'-biphenyl]-4-carboxylic acid4-Hydroxybiphenyl-4'-carboxylic acid4'-Hydroxy-biphenyl-4-carboxylic acidCHEMBL905224-(4'-hydroxyphenyl)benzoic acidNSC179419

데이터베이스 식별자

CAS: 58574-03-1
PubChem CID: 301556
DTXSID: DTXSID60306717
ChEMBL: CHEMBL90522
EC Number: 628-295-7
Nikkaji: J208.616F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 295 °C · 295 °C (dec.)(lit.)
끓는 점: 314.35 °C · 314.35°C (rough estimate)
밀도: 1.1956 · 1.1956 (rough estimate)
굴절률: 1.509 · 1.5090 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in hot Methanol
산도 계수 (pKa): 4.29 · 4.29±0.10(Predicted)
물리적 상태: 액체 또는 고체
색상: 무색~황색으로 투명함
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16)
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)-c2ccc(O)cc2

화학적 성질

Powder

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