3-Methyl-4-nitrobenzonitrile

Modify Date: 2025-08-25 15:01:05

3-Methyl-4-nitrobenzonitrile Structure
3-Methyl-4-nitrobenzonitrile structure
Common Name 3-Methyl-4-nitrobenzonitrile
CAS Number 96784-54-2 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 322.2±30.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 81-83°C
MSDS N/A Flash Point 148.6±24.6 °C

 Names

Name 3-Methyl-4-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 322.2±30.0 °C at 760 mmHg
Melting Point 81-83°C
Molecular Formula C8H6N2O2
Molecular Weight 162.145
Flash Point 148.6±24.6 °C
Exact Mass 162.042923
PSA 69.61000
LogP 1.65
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.568

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39-S45
RIDADR 3439
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~%

3-Methyl-4-nitrobenzonitrile Structure

3-Methyl-4-nitr...

CAS#:96784-54-2

Literature: Justus Liebigs Annalen der Chemie, , vol. 144, p. 182

~22%

3-Methyl-4-nitrobenzonitrile Structure

3-Methyl-4-nitr...

CAS#:96784-54-2

Literature: ELI LILLY AND COMPANY Patent: EP655439 A2, 1995 ;

~%

3-Methyl-4-nitrobenzonitrile Structure

3-Methyl-4-nitr...

CAS#:96784-54-2

Literature: Journal of Medicinal Chemistry, , vol. 40, # 18 p. 2843 - 2857

~%

3-Methyl-4-nitrobenzonitrile Structure

3-Methyl-4-nitr...

CAS#:96784-54-2

Literature: Tetrahedron Letters, , vol. 26, # 1 p. 115 - 118

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3-Methyl-4-nitrobenzonitrile Structure

3-Methyl-4-nitr...

CAS#:96784-54-2

Literature: Organic and Biomolecular Chemistry, , vol. 1, # 13 p. 2326 - 2335

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

MFCD00017615
Benzonitrile, 3-methyl-4-nitro-
3-Methyl-4-nitrobenzonitrile
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