2,5-디아닐리노테레프탈산

2,5-Dianilinoterephthalic acid

HCID 82351CAS 10109-95-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Nc1ccccc1
InChIKey: ZJQZWNLKRBUEKX-UHFFFAOYSA-N
분자식: C20H16N2O4
평균 분자량: 348.4 g/mol
단동위원소 질량: 348.11100699

이름 및 식별자

우선 이름: 2,5-Dianilinoterephthalic acid
IUPAC: 2,5-dianilinoterephthalic acid
현지명: 2,5-디아닐리노테레프탈산
영어명: 2,5-Dianilinoterephthalic acid
분자식: C20H16N2O4
분자량: 348.35

이름 및 동의어

2,5-Dianilinoterephthalic acid1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-EINECS 233-302-8DTXSID7064948EC 233-302-8RefChem:82758DTXCID5032600233-302-810109-95-22,5-bis(phenylamino)terephthalic acid2,5-di(phenylamino)terephthalic acidCBDivE_010595

이름 더 보기

2,5-디아닐리노테레프탈산2,5-bis(phenylamino)parabenzenedimacetic acid4-Benzenedicarboxylicacid,2,5bis(phenylamino)-1

MFCD00044044H2QSS4HZP22,5-bis(phenylamino)-4-benzenedicarboxylicacid2,5-DianilinoterephthalsureOprea1_567229Oprea1_5948542,5dianilinoterephthalic acidSCHEMBL351705

데이터베이스 식별자

CAS: 10109-95-2
PubChem CID: 82351
DTXSID: DTXSID7064948
UNII: H2QSS4HZP2
EC Number: 233-302-8
Nikkaji: J62.016E

물성

구조 계산 물성

XLogP: 6
극성 표면적: 98.7 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 442

실험 및 물리화학적 성질

Physical DescriptionCBI

물리화학적 성질

녹는점: 308 · 308-312 °C (decomp)
끓는 점: 559.8 · 559.8±50.0 °C(Predicted)
밀도: 1.412 · 1.412±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.79 · 2.79±0.36(Predicted)
물리적 상태: 가루
InChI: InChI=1S/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)
InChIKey: ZJQZWNLKRBUEKX-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=CC(NC2=CC=CC=C2)=C(C(O)=O)C=C1NC1=CC=CC=C1
LogP: 2.02 at · 2.02 at 23℃ and pH7
EPA: 2 · 2,5-Dianilinoterephthalic acid (10109-95-2)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-

1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12394

Hazard Classes and CategoriesNot Classified