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

HCID 13084CAS 787-70-2

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey: NEQFBGHQPUXOFH-UHFFFAOYSA-N
분자식: C14H10O4
평균 분자량: 242.23 g/mol
단동위원소 질량: 242.0579088

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4,4'-dicarboxylic acid
IUPAC: 4-(4-carboxyphenyl)benzoic acid
영어명: Biphenyl-4,4'-dicarboxylic acid
분자식: C14H10O4
분자량: 242.23

이름 및 동의어

787-70-2[1,1'-Biphenyl]-4,4'-dicarboxylic acid4,4'-BIPHENYLDICARBOXYLIC ACID4,4'-Bibenzoic acid4,4'-Dicarboxybiphenylp,p'-Diphenic acid(1,1'-Biphenyl)-4,4'-dicarboxylic acidNSC-600165D8ABY24N2DTXSID70611404,4'-DIPHENYL DICARBOXYLIC ACIDRefChem:391085

이름 더 보기

DK7488usafdo-69Biphenyl-4,4BIBENZOIC ACID-4,4’-dicarboxyL4,4'-Diphenit acid

DTXCID1048128212-328-3Biphenyl-4,4'-dicarboxylic acid4-(4-carboxyphenyl)benzoic acid84787-70-24,4'-Diphenic acidUSAF DO-694,4'-Dibenzoic Acid

데이터베이스 식별자

CAS: 787-70-2
PubChem CID: 13084
DTXSID: DTXSID7061140
ChEMBL: CHEMBL3593502
UNII: 5D8ABY24N2
EC Number: 212-328-3
Nikkaji: J21.942H

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 278

실험 및 물리화학적 성질

Physical DescriptionCoarse white powder; [3M MSDS]

물리화학적 성질

녹는점: 300 °C · >300 °C(lit.)
끓는 점: 482.5 · 482.5±38.0 °C(Predicted)
밀도: 1.347 · 1.347±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.77 · 3.77±0.10(Predicted)
물리적 상태: 가루
색상: 흰색~밝은 베이지
BRN: 523308 · 523308
InChI: InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: NEQFBGHQPUXOFH-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(O)=O)C=C2)=CC=C(C(O)=O)C=C1
EPA: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid (787-70-2)

화학적 성질

White to light beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryIntraperitoneal LD50 (mouse) = 500 mg/kg; [RTECS] A severe skin and eye irritant; [3M MSDS] See Biphenyl.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DV2975000
HS 번호: 29173990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [3M MSDS]

Use ClassificationCosmetics -> Skin conditioning; Soothing; Cleansing

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

응용 분야

용도Dendrimer building block.

상·하류 제품 정보

하류 제품

4,4'-비페닐디카르보닐클로라이드 4,4'-비스(히드록시메틸)비페닐 dimethyl-2-nitro-1,1′-biphenyl-4,4′-dicarboxylate

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北博杰生物科技有限公司0713-2060728 15629612610

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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