2-(4-nitrophenyl)propiononitrile

Modify Date: 2025-08-25 07:58:45

2-(4-nitrophenyl)propiononitrile Structure
2-(4-nitrophenyl)propiononitrile structure
 Common Name 2-(4-nitrophenyl)propiononitrile
CAS Number 50712-63-5 Molecular Weight 176.17200
Density 1.217g/cm3 Boiling Point 324.1ºC at 760 mmHg
Molecular Formula C9H8N2O2 Melting Point 74-78ºC
MSDS Chinese USA Flash Point 149.8ºC

 Names

Name 2-(4-Nitrophenyl)propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.217g/cm3
Boiling Point 324.1ºC at 760 mmHg
Melting Point 74-78ºC
Molecular Formula C9H8N2O2
Molecular Weight 176.17200
Flash Point 149.8ºC
Exact Mass 176.05900
PSA 69.61000
LogP 2.74508
Index of Refraction 1.561

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
HS Code 2926909090

 Synthetic Route

Formaldehyde structure

Formaldehyde

CAS#:50-00-0

4-Nitrophenylacetonitrile structure

4-Nitrophenylac...

CAS#:555-21-5

~60%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: Ramachary, Dhevalapally B.; Shiva Prasad Tetrahedron Letters, 2010 , vol. 51, # 40 p. 5246 - 5251
2-(phenylthio)propionitrile structure

2-(phenylthio)p...

CAS#:33695-43-1

nitrobenzene structure

nitrobenzene

CAS#:98-95-3

~81%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499
4-toluene-sulfonylmethyl isocyanide structure

4-toluene-sulfo...

CAS#:38622-91-2

4-Nitroacetophenone structure

4-Nitroacetophenone

CAS#:100-19-6

~74%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: ELI LILLY AND COMPANY Patent: EP994110 A1, 2000 ;
2-Chloropropionitrile structure

2-Chloropropion...

CAS#:1617-17-0

nitrobenzene structure

nitrobenzene

CAS#:98-95-3

~34%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: Makosza, Mieczyslaw; Winiarski, Jerzy Journal of Organic Chemistry, 1984 , vol. 49, # 9 p. 1494 - 1499
ALPHA-METHYLPHENYLACETONITRILE structure

ALPHA-METHYLPHE...

CAS#:1823-91-2

~%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: Nannini; Giraldi; Molgora; Biasoli; Spinelli; Logemann; Dradi; Zanni; Buttinoni; Tommasini Arzneimittel-Forschung/Drug Research, 1973 , vol. 23, # 8 p. 1090 - 1100
nitric acid structure

nitric acid

CAS#:7697-37-2

ALPHA-METHYLPHENYLACETONITRILE structure

ALPHA-METHYLPHE...

CAS#:1823-91-2

~%

2-(4-nitrophenyl)propiononitrile Structure

2-(4-nitropheny...

CAS#:50712-63-5

Literature: Opolski; Kowalski; Pilewski Chemische Berichte, 1916 , vol. 49, p. 2280

 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

EINECS 256-731-2
MFCD03427171
2-(4-nitrophenyl)propanenitrile
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