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CAS Number: 42297-94-9
2-methyl-5-nitrothiophene

Structure

 2-methyl-5-nitrothiophene
Name: 2-methyl-5-nitrothiophene
Synonyms:
General Information
Product Number: 42297949

CAS Registry Number 42297-94-9
Name:
Thiophene, 2-?methyl-?5-?nitro-
2-Methyl-5-nitrothiophene
2-Nitro-5-methylthiophene

 

Chemical Formula: C5H5NO2S
Exact Mass: 143.00
Molecular Weight: 143.16
m/z: 143.00 (100.0%), 144.01 (5.5%), 145.00 (4.5%), 144.00 (1.2%)

 

InChI:InChI=1S/C5H5NO2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3

InChI Key:BHCPVWDLDWXIFJ-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(S1)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Boiling Point 106 °C Press: 6 Torr (1)CAS
Boiling Point 66-68 °C Press: 0.5 Torr (2)CAS
Melting Point 25.0-27.0 °C   (3)CAS
Melting Point 25-27 °C   (5)CAS

Specification

98%
References
  1. (1) Dullaghan, Matthew E.; Journal of the American Chemical Society 1952, V74, P2676-7 CAPLUS
  2. (2) Campaigne, E. E.; Journal of the American Chemical Society 1951, V73, P3812-14 CAPLUS
  3. (3) Katritzky, Alan R.; Synthesis 2008, (5), P699-706 CAPLUS
  4. (5) Rinkes, I. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1932, V51, P1134-42 CAPLUS
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