4-(Bis(p-tolyl)amino)benzaldehyde

HCID 170701

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Basic information

CAS: 42906-19-4
Standard SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1
InChIKey: XCGLXUJEPIVZJM-UHFFFAOYSA-N
Molecular formula: C21H19NO
Average molar mass: 301.4 g/mol
Monoisotopic mass: 301.14666423

Names & identifiers

Preferred name: 4-(Bis(p-tolyl)amino)benzaldehyde
IUPAC: 4-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde
English name: 4-Di-p-tolylamino-benzaldehyde
Molecular formula: C21H19NO
Molecular weight: 301.38

Names & synonyms

4-[Bis(4-methylphenyl)amino]benzaldehydeEINECS 255-996-1Benzaldehyde, 4-[bis(4-methylphenyl)amino]-DTXSID6068432Benzaldehyde, 4-(bis(4-methylphenyl)amino)-4-[bis(p-tolyl)amino]benzaldehyde4-(Bis(p-tolyl)amino)benzaldehyde4-(Bis(4-methylphenyl)amino)benzaldehydeRefChem:515278DTXCID4040189255-996-142906-19-4

Show more names

4-DI-P-TO4-DI-P-TOLYAMINOBENALDEHYDE4-dimethylamine benzaldehyde4-(Di-p-Tlylamino)benzaldehyde(4-(Di-p-tolyamino)benzaldehyde)4-(Di-p-tolylamino)benzaldehyde>4,4'-(Di-p-tolylamino)benzaldehydep-[N,N-Di-p-tolylamino]benzaldehyde

4-Di-p-tolylamino-benzaldehyde4-(Di-p-tolyl-amino)-benzaldehyde4-(Di-p-tolylamino)benzaldehydeMFCD030932574-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde4-Formyl-4',4''-dimethyltriphenylamine4-[4-methyl-N-(p-tolyl)anilino]benzaldehydeSCHEMBL339173

Database identifiers

CAS: 42906-19-4
PubChem CID: 170701
DTXSID: DTXSID6068432
EC Number: 255-996-1
Nikkaji: J134.871J

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 336

Physicochemical properties

Melting point: 109 °C · 109 °C
Boiling point: 470.5 · 470.5±45.0 °C(Predicted)
Density: 1.138 · 1.138±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: almost transparency in hot Acetonitrile
form: powder to crystal
pka: -4.76 · -4.76±0.50(Predicted)
color: Light yellow to Amber to Dark green
InChI: InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3
InChIKey: XCGLXUJEPIVZJM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(N(C2=CC=C(C)C=C2)C2=CC=C(C)C=C2)C=C1
CAS DataBase Reference: 42906 · 42906-19-4(CAS DataBase Reference)
EPA Substance Registry System: 4 · Benzaldehyde, 4-[bis(4-methylphenyl)amino]- (42906-19-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2922.39 · 2922.39.4500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2922.39.4500
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 4-[bis(4-methylphenyl)amino]-: INACTIVE

Applications · 1 item

UsesSmart materials with tunable multiple-color emissions have been widely investigated in the fields of bioimaging, display, and information encryption. Multicolor emissive molecules with hydrazone bridged triphenylamines and pyridinium groups can be produced from 4-Di-p-tolylamino-benzaldehyde.4-Di-p-tolylamino-benzaldehyde (0.603 g, 2 mmol) and 2-Hydrazinopyridine (0.442 g, 4 mmol) were stirred in 15 mL methanol at 90 °C for 24 h. After cooling to room temperature, the yellow crude product is extracted and filtered directly. Then yellow rod-like crystals were obtained by recrystallization in ethanol[1].