4-[Bis(4-methylphenyl)amino]benzaldehyde

Basic Information

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CAS Number

42906-19-4

Molecular Formula

C21H19NO

Molecular Weight

301.39 g/mol

EINECS

255-996-1

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

107.0 to 111.0 deg-C

Boiling Point

470.5±45.0 °C at 760 mmHg

Density

1.1380

Flash Point

182.4±18.1 °C

Refractive Index

1.649

SMILES

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CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=O

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

LogP

5.585740000000005

pKa

-4.76±0.50(Predicted)

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

336

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

under inert gas (nitrogen or Argon) at 2-8°C

Synonyms & References

English

NS00031261
4-Formyl-4',4''-dimethyltriphenylamine
4-(di-para-tolylamino) benzaldehyde
p-di(p-tolyl)aminobenzaldehyde
AC-1181
42906-19-4
Q-102467
4-Di-p-tolylamino-benzaldehyde
Benzaldehyde, 4-(bis(4-methylphenyl)amino)-
4-(dip-tolylamino)benzaldehyde
4-(Di-p-tolyl-amino)-benzaldehyde
SCHEMBL339173
BCP32027
4,4'-Bis(4-methylphenyl)-aminobenzoaldehyde 4-(DI-P-TOLYLAMINO)BENZALDEHYDE 4-FORMYL-4',4''-DIMETHYLTRIPHENYLAMINE
AKOS015842547
4-(Di-p-Tlylamino)benzaldehyde
4-(Bis(p-tolyl)amino)benzaldehyde
4-Di-p-tolylaminobenzaldehyde
XCGLXUJEPIVZJM-UHFFFAOYSA-N
AS-19123
4-[Bis(4-methylphenyl)amino]benzaldehyde
4-(N,N-bis(4-methylphenyl)amino) benzaldehyde
EINECS 255-996-1
MFCD03093257
Benzaldehyde, 4-[bis(4-methylphenyl)amino]-
C21H19NO
4-(Di-p-tolylamino)benzaldehyde
A6960
4-(N,N-bis(4-methylphenyl)amino)benzaldehyde
4-(di-para-tolylamino)benzaldehyde
4-(di-p-tolylamino)ben-zaldehyde

MDL Number

MFCD03093257

EC Number

255-996-1

Customs Code

2922399090

FAQ

What are the physical and chemical properties of 4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4)?

4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4) is a crystalline compound with a molecular weight of approximately 320.35 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive than typical aldehydes due to the steric hindrance provided by the bulky aryl groups. It shows moderate reactivity in typical aldehyde reactions like nucleophilic addition and condensation.

How is 4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4) typically synthesized?

4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4) can be synthesized via the condensation of 4-dimethylaminobenzaldehyde with 4-methylphenyl isocyanate. This reaction is typically catalyzed by a strong base such as sodium hydride. The yield is generally high, and the selectivity for the desired product is excellent due to the specificity of the reaction conditions.

What industries use 4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4)?

4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4) finds applications in the pharmaceutical industry for the synthesis of certain APIs, in the polymer industry for functionalizing polymers, and in the sensor industry for developing gas sensors. It is also relevant in the semiconductor industry for use in various organic semiconductor materials.

What precautions should be taken when handling 4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4)?

When handling 4-[Bis(4-methylphenyl)amino]benzaldehyde (CAS: 42906-19-4), it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be stored in a well-ventilated area, and the use of a fume hood is recommended during handling to avoid inhalation. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be properly ventilated. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.