디펜산

Diphenic acid

HCID 10210CAS 482-05-3

기본 정보

표준 SMILES: O=C(O)c1ccccc1-c1ccccc1C(=O)O
InChIKey: GWZCCUDJHOGOSO-UHFFFAOYSA-N
분자식: C14H10O4
평균 분자량: 242.23 g/mol
단동위원소 질량: 242.0579088

개요

Diphenic acid is a dicarboxylic acid. It is a conjugate acid of a diphenate(1-). It derives from a hydride of a biphenyl.

이름 및 식별자

우선 이름: Diphenic acid
IUPAC: 2-(2-carboxyphenyl)benzoic acid
현지명: 디펜산
영어명: Diphenic acid
분자식: C14H10O4
분자량: 242.23

이름 및 동의어

DIPHENIC ACID482-05-3[1,1'-Biphenyl]-2,2'-dicarboxylic acid2,2'-Biphenyldicarboxylic acid2,2'-Bibenzoic acid2,2'-Dicarboxybiphenyl2,2'-Diphenic acidO,O'-Diphenic acidO,O'-Bibenzoic acidNSC-1966QY5X735ZIM(1,1'-Biphenyl)-2,2'-dicarboxylic acid

이름 더 보기

2,2'-바이페닐다이카복실산디펜산다이펜산O-PHENYL BENZOIC ACIDDiphenicBIPHENIC ACID2,2?Diphenit acidiphenicaci

DTXSID0060064CHEBI:23837RefChem:134636DTXCID6040610207-576-4Biphenyl-2,2'-dicarboxylic acid2-(2-carboxyphenyl)benzoic acidUNII-QY5X735ZIM

데이터베이스 식별자

CAS: 482-05-3
PubChem CID: 10210
DTXSID: DTXSID0060064
ChEMBL: CHEMBL79411
ChEBI: CHEBI:23837
UNII: QY5X735ZIM
EC Number: 207-576-4
Nikkaji: J5.783E

물성

구조 계산 물성

XLogP: 2.1
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: 294

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

SpringerMaterials PropertiesBoiling point

LogP2.07

Vapor Pressure0.00000001 [mmHg]

Physical DescriptionSolid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 227 · 227-229 °C(lit.)
끓는 점: 345.05 °C · 345.05°C (rough estimate)
밀도: 1.2695 · 1.2695 (rough estimate)
굴절률: 1.5389 · 1.5389 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: almost transparency in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 3.2 · pKa 3.20(H2O t=23.0) (Uncertain);5.06(H2O t=23.0) (Uncertain)
색상: White to Orange to Green
수소이온지수(pH): 4 · 4-5 (H2O, 20℃)
수용성: 불용성(20℃)
Merck: 14 · 14,3310
BRN: 2053625 · 2053625
InChI: 1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: GWZCCUDJHOGOSO-UHFFFAOYSA-N
SMILES: OC(=O)c1ccccc1-c2ccccc2C(O)=O
NIST: 2 · 2,2'-Biphenyldicarboxylic acid(482-05-3)
EPA: 1 · [1,1'-Biphenyl]-2,2'-dicarboxylic acid (482-05-3)

화학적 성질

Off-white 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.