CAS 10291-28-8 2,5-Di-p-toluidinoterephthalic acid (HCID 82524)

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Basic information

CAS: 10291-28-8
Standard SMILES: Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1
InChIKey: FVLUGNOOEZYDNV-UHFFFAOYSA-N
Molecular formula: C22H20N2O4
Average molar mass: 376.4 g/mol
Monoisotopic mass: 376.14230712

Names & identifiers

Preferred name: 2,5-Di-p-toluidinoterephthalic acid
IUPAC: 2,5-bis(4-methylanilino)terephthalic acid
English name: Dimethyldianilinoterephthalic acid
Molecular formula: C22H20N2O4
Molecular weight: 376.41

Names & synonyms

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

Show more names

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

Database identifiers

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 98.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 491

Experimental & physicochemical properties

Physical DescriptionCBI

Physicochemical properties

Melting point: 334 °C · 334 °C
Boiling point: 584.484 · 584.484±50.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.349 · 1.349±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
form: Powder
pka: 3.121 · 3.121±0.36(predicted)
LogP: 1.73 at · 1.73 at 23℃
FDA UNII: 5 ZI978ES5L · 5ZI978ES5L
EPA Substance Registry System: 2 · 2,5-Di-p-toluidinoterephthalic acid (10291-28-8)
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 3 items

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