디페닐-4-카본산

(1,1'-Biphenyl)-4-carboxylic acid

HCID 66724CAS 92-92-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccccc2)cc1
InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N
분자식: C13H10O2
평균 분자량: 198.22 g/mol
단동위원소 질량: 198.06807956

개요

RN given refers to 4-carboxylic cpd

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4-carboxylic acid
IUPAC: 4-phenylbenzoic acid
현지명: 디페닐-4-카본산
영어명: 4-Biphenylcarboxylic acid
분자식: C13H10O2
분자량: 198.22

이름 및 동의어

4-Biphenylcarboxylic acid92-92-24-Phenylbenzoic acid[1,1'-Biphenyl]-4-carboxylic acid4-Carboxybiphenylp-Phenylbenzoic acidPara phenyl benzoic acid4-Diphenylcarboxylic acid(1,1'-Biphenyl)-4-carboxylic acidNSC-2304036J7VPO67KDTXSID1059074

이름 더 보기

디페닐-4-카본산4-비페닐카르복실산4-phenylbenzoate4-Biphenylcarboxylic4-United acid4-diphenic acid4-CARBOXYDIPHENYLPHENYLBENZOICACID

RefChem:97991DTXCID3048782202-203-1Biphenyl-4-carboxylic acidMFCD00002553NSC 23040Benzoic acid, p-phenyl-Diphenyl-4-carboxylic acid

데이터베이스 식별자

CAS: 92-92-2
PubChem CID: 66724
DTXSID: DTXSID1059074
ChEMBL: CHEMBL107057
UNII: 36J7VPO67K
EC Number: 202-203-1
Nikkaji: J39.593E

물성

구조 계산 물성

XLogP: 3.5
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: 211

실험 및 물리화학적 성질

LogP3.75

물리화학적 성질

녹는점: 220 · 220-225 °C(lit.)
끓는 점: 295.53 °C · 295.53°C (rough estimate)
밀도: 1.1184 · 1.1184 (rough estimate)
굴절률: 1.5954 · 1.5954 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 0.03 g/L · 0.03g/L
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.19 · 4.19±0.10(Predicted)
색상: 흰색에서 베이지색
수용성: 물에 불용성.
BRN: 973519 · 973519
InChI: 1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)-c2ccccc2
NIST: 1 · [1,1'-Biphenyl]-4-carboxylic acid(92-92-2)
EPA: 1 · [1,1'-Biphenyl]-4-carboxylic acid (92-92-2)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24793

Hazard Classes and CategoriesAcute Tox. 4 (25.5%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: DV1925100
HS 번호: 29163900
risk_code: 36/37/38-20/21/22-51-36-22
hazard_code: Xi,Xn
safety_code: 37/39-26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid: ACTIVE

응용 분야

용도Biphenyl-4-carboxylic acid is employed in the synthesis, characterization of europium, terbium complexes.

상·하류 제품 정보

상류 원료

하류 제품

2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE 4-Biphenylcarbonyl chloride Vat Yellow 33 4-아미노디페닐 2,5-BIS(4-BIPHENYLYL)-1,3,4-OXADIAZOLE 2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole 4,4'-디페닐벤조페논 2-Methoxyphenylacetonitrile 2-티에닐아세토니트릴 2-Methylbenzyl cyanide 디소듐1-[[[1,1'-비페닐]-4-일카르보닐]아미노]안트라센-9,10-디일디설페이트 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-

공급사50 곳

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