5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

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Names

[ CAS No. ]:
138564-59-7

[ Name ]:
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

[Synonym ]:
Olanzapine impurity A
5-Methyl-​2-(2-nit​roanilino)-3-​thiophene​carbonitr​ile
T5SJ BMR BNW& CCN E1
3-Cyano-5-methyl-2-(2-nitroanilino)thiophene
EINECS 421-300-1
MFCD06408054
5-Methyl-​​2-(2-nit​​roanilin​o)​thi​ophene​-3-ca​rbonitr​i​le
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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Iodo-2-nitrobenzene
  • 2-Amino-5-methylthiophene-3-carbonitrile

DownStream

  • Olanzapine
  • 2-Methyl-4-(1-piperazinyl)-10H-thienol[2,3-b][1,5]benzodiazepine
  • 2-(2-aminoanilino)-5-methylthiophene-3-carbonitrile
  • 4-AMINO-2-METHYL-10H-THIENO(2,3-B)(1,5)-BENZODIAZEPINE

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

Crystalline polymorph selection and discovery with polymer heteronuclei.

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...


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