2-Methyl-5-nitrobenzonitrile

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

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	Signal Word	Warning

Name	2-Methyl-5-nitrobenzonitrile
Synonym	More Synonyms

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

2-Methyl-5-nitrobenzonitrile MSDS(Chinese)

Symbol	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

2-Bromo-4-nitro...

CAS#:7745-93-9

zinc,dicyanide

CAS#:557-21-1

~42%

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

2-Bromo-4-nitro...

CAS#:7745-93-9

Ethyl cyanoacetate

CAS#:105-56-6

~44%

2-Methyl-5-nitr...

CAS#:939-83-3

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

o-Tolunitrile

CAS#:529-19-1

~91%

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

o-Tolunitrile

CAS#:529-19-1

~87%

2-Methyl-5-nitr...

CAS#:939-83-3

2-Methyl-3-Nitr...

CAS#:71516-35-3

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

Precursor 4
CAS#:7745-93-9 2-Bromo-4-nitro... CAS#:557-21-1 zinc,dicyanide CAS#:105-56-6 Ethyl cyanoacetate CAS#:529-19-1 o-Tolunitrile
DownStream 10
CAS#:50670-64-9 5-Amino-2-methy... CAS#:79669-49-1 5-Bromo-2-methy... CAS#:288252-67-5 2-(bromomethyl)... CAS#:77324-87-9 Methyl 2-methyl...
CAS#:523977-64-2 4-Bromo-2-cyano... CAS#:156001-51-3 5-Bromo-2-methy... CAS#:16634-91-6 2-Methyl-5-nitr... CAS#:156001-53-5 4-Bromo-2-cyano...
CAS#:28169-46-2 3,5-Dinitro-2-m... CAS#:1975-52-6 2-Methyl-5-nitr...

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%

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)

5-Nitro-ortho-tolunitrile

Benzonitrile, 2-methyl-5-nitro-

2-Methyl-5-nitrobenzonitrile

MFCD00017040