2-Methyl-5-nitrobenzonitrile

Modify Date: 2024-01-09 12:30:07

2-Methyl-5-nitrobenzonitrile Structure
2-Methyl-5-nitrobenzonitrile structure
Common Name 2-Methyl-5-nitrobenzonitrile
CAS Number 939-83-3 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 291.5±28.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 103.5-107.5 °C(lit.)
MSDS USA Flash Point 130.1±24.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-Methyl-5-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 291.5±28.0 °C at 760 mmHg
Melting Point 103.5-107.5 °C(lit.)
Molecular Formula C8H6N2O2
Molecular Weight 162.145
Flash Point 130.1±24.0 °C
Exact Mass 162.042923
PSA 69.61000
LogP 1.63
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.568

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R20/21/22
Safety Phrases S26-S36
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~42%

2-Methyl-5-nitrobenzonitrile Structure

2-Methyl-5-nitr...

CAS#:939-83-3

Literature: Kung, Pei-Pei; Funk, Lee; Meng, Jerry; Collins, Michael; Zhou, Joe Zhongxiang; Catherine Johnson; Ekker, Anne; Wang, Jeff; Mehta, Pramod; Yin, Min-Jean; Rodgers, Caroline; Davies II, Jay F.; Bayman, Eileen; Smeal, Tod; Maegley, Karen A.; Gehring, Michael R. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 23 p. 6273 - 6278

~44%

2-Methyl-5-nitrobenzonitrile Structure

2-Methyl-5-nitr...

CAS#:939-83-3

Literature: Zheng, Shuyan; Yu, Chunhui; Shen, Zhengwu Organic Letters, 2012 , vol. 14, # 14 p. 3644 - 3647

~91%

2-Methyl-5-nitrobenzonitrile Structure

2-Methyl-5-nitr...

CAS#:939-83-3

Literature: Li, Chien-Le; Shieh, Shwu-Ju; Lin, Shien-Chang; Liu, Rai-Shung Organic Letters, 2003 , vol. 5, # 7 p. 1131 - 1134

~87%

2-Methyl-5-nitrobenzonitrile Structure

2-Methyl-5-nitr...

CAS#:939-83-3

Literature: Journal of the Chemical Society, Perkin Transactions 1, , # 16 p. 2753 - 2758

 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%

 Articles3

More Articles
2-Methyl-5-nitro-benzonitrile.

Acta Crystallogr. Sect. E Struct. Rep. Online 64(6) , o972, (2008)

In the title compound, C(8)H(6)N(2)O(2), the nitro group is rotated by 10.2 (2)° out of the plane of the benzene ring. The crystal structure is stabilized by van der Waals inter-actions.

5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

Acta Crystallogr. Sect. E Struct. Rep. Online 64(10) , o1944, (2008)

In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 45.7 (2)° with the tetra-zole ring. In the crystal structure, the mol-ecules are linked into a chain running along t...

Recent aspects of nitration: New preparative methods and mechanistic studies (A Review). Olah GA, et al.

Proc. Natl. Acad. Sci. U. S. A. 79(14) , 4487-94, (1982)

 Synonyms

5-Nitro-ortho-tolunitrile
Benzonitrile, 2-methyl-5-nitro-
2-Methyl-5-nitrobenzonitrile
MFCD00017040