CAS 3547-23-7 N,N,N',N'-Tetrakis(4-amino-phenyl)benzidine (HCID 5130174)

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Basic information

CAS: 3547-23-7
Standard SMILES: Nc1ccc(N(c2ccc(N)cc2)c2ccc(-c3ccc(N(c4ccc(N)cc4)c4ccc(N)cc4)cc3)cc2)cc1
InChIKey: YROIXLFLYRDCBC-UHFFFAOYSA-N
Molecular formula: C36H32N6
Average molar mass: 548.7 g/mol

Names & identifiers

Preferred name: N,N,N',N'-Tetrakis(4-amino-phenyl)benzidine
IUPAC: 4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
English name: N,N,N',N'-Tetrakis(4-aminophenyl)benzidine
Molecular formula: C36H32N6
Molecular weight: 548.68

Names & synonyms

3547-23-7RefChem:822049N,N,N',N'-Tetrakis(4-amino-phenyl)benzidine622-480-6N1,N1'-([1,1'-Biphenyl]-4,4'-diyl)bis(N1-(4-aminophenyl)benzene-1,4-diamine)n,n,n',n'-tetrakis(4-aminophenyl)benzidineSCHEMBL4852052tetrakis(p-aminophenyl)benzidinetetrakis (p-aminophenyl)benzidineYROIXLFLYRDCBC-UHFFFAOYSA-NAKOS024430543H50151

Show more names

N,N,N’,N’-tetra(4-aminophenyl)-1,1’-biphenyl-4,4’-diamine[1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-aminophenyl)-

Database identifiers

CAS: 3547-23-7
PubChem CID: 5130174
EC Number: 622-480-6
Nikkaji: J2.838.441F

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 42
Formal charge: 0
Complexity: 665

Physicochemical properties

Melting point: 313 · 313-316 °C
Boiling point: 835.4 · 835.4±65.0 °C(Predicted)
Density: 1.287 · 1.287±0.06 g/cm3(Predicted)
pka: 6.66 · 6.66±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P