2,5-Di-p-toluidinoterephthalic acid

HCID 82524CAS 10291-28-8

기본 정보

표준 SMILES: Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1
InChIKey: FVLUGNOOEZYDNV-UHFFFAOYSA-N
분자식: C22H20N2O4
평균 분자량: 376.4 g/mol
단동위원소 질량: 376.14230712

이름 및 식별자

우선 이름: 2,5-Di-p-toluidinoterephthalic acid
IUPAC: 2,5-bis(4-methylanilino)terephthalic acid
영어명: Dimethyldianilinoterephthalic acid
분자식: C22H20N2O4
분자량: 376.41

이름 및 동의어

2,5-Di-p-toluidinoterephthalic acid2,5-Bis(p-toluidino)terephthalic acid2,5-bis(4-methylanilino)terephthalic acid2,5-Bis(4-toluidino)terephthalic acidEINECS 233-651-6Terephthalic acid, 2,5-di-p-toluidino-NSC 3199975ZI978ES5L1,4-Benzenedicarboxylic acid, 2,5-bis((4-methylphenyl)amino)-NSC-319997UNII-5ZI978ES5LDTXSID4065024

이름 더 보기

Dimethyldianilinoterephthalic acid2,5-di-p-Toluidinoterephthalicacid2,5-Bis(p-toluidino)terephthalsure2,5-Di(4-methylphenylamino)-1,4-benzenedicarboxylic acid2,5-bis[(4-methylphenyl)amino]-4-benzenedicarboxylicacid4-Benzenedicarboxylicacid,2,5-bis[(4-methylphenyl)amino]-1

2,5-BIS(P-TOLYLAMINO)TEREPHTHALIC ACIDEC 233-651-62,5-bis((4-methylphenyl)amino)terephthalic acid2,5-DI-4'-TOLUIDINOTEREPHTHALIC ACIDTOLUIDINOTEREPHTHALIC ACID, 2,5-DI-P-1,4-Benzenedicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-2,5-BIS((4-METHYLPHENYL)AMINO)-1,4-BENZENEDICARBOXYLIC ACID2,5-bis{(4-methylphenyl)amino}terephthalic acid

데이터베이스 식별자

CAS: 10291-28-8
PubChem CID: 82524
DTXSID: DTXSID4065024
UNII: 5ZI978ES5L
EC Number: 233-651-6
Nikkaji: J180.896F

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 98.7 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 28
형식 전하: 0
복잡도: 491

실험 및 물리화학적 성질

Physical DescriptionCBI

물리화학적 성질

녹는점: 334 °C · 334 °C
끓는 점: 584.484 · 584.484±50.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.349 · 1.349±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
물리적 상태: 가루
산도 계수 (pKa): 3.121 · 3.121±0.36(predicted)
LogP: 1.73 at · 1.73 at 23℃
EPA: 2 · 2,5-Di-p-toluidinoterephthalic acid (10291-28-8)

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[(4-methylphenyl)amino]-

1,4-Benzenedicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]- 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: 18-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1193

Hazard Classes and CategoriesNot Classified