5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
Names
[ CAS No. ]:
138564-59-7
[ Name ]:
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
[Synonym ]:
Olanzapine impurity A
5-Methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile
T5SJ BMR BNW& CCN E1
3-Cyano-5-methyl-2-(2-nitroanilino)thiophene
EINECS 421-300-1
MFCD06408054
5-Methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
5-Methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile
5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
Olanzapine Related Compound A
5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
425.4±45.0 °C at 760 mmHg
[ Melting Point ]:
111 °C
[ Molecular Formula ]:
C12H9N3O2S
[ Molecular Weight ]:
259.284
[ Flash Point ]:
211.1±28.7 °C
[ Exact Mass ]:
259.041534
[ PSA ]:
109.88000
[ LogP ]:
3.78
[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C
[ Index of Refraction ]:
1.659
MSDS
Safety Information
[ Symbol ]:
GHS07, GHS09
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H319-H410
[ Precautionary Statements ]:
P305 + P351 + P338
[ Hazard Codes ]:
N
[ Risk Phrases ]:
22-50/53
[ Safety Phrases ]:
22-60-61
[ RIDADR ]:
3077.0
[ HS Code ]:
2934999090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2934999090
[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
J. Am. Chem. Soc. 127(15) , 5512-7, (2005)
The discovery and selective production of crystalline polymorphs, an outstanding problem in solid-state chemistry, is of great importance industrially in, for example, the manufacture of pharmaceutica...
Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.Acc. Chem. Res. 43(9) , 1257-66, (2010)
Diamond and graphite are polymorphs of each other: they have the same composition but different structures and properties. Many other substances exhibit polymorphism: inorganic and organic, natural an...
Selective nucleation and discovery of organic polymorphs through epitaxy with single crystal substrates.J. Am. Chem. Soc. 123(44) , 10830-9, (2001)
Crystallization of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (1), previously found to produce six conformational polymorphs from solution, on single-crystal pimelic acid (PA) substrate...