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CAS Number: 5832-01-9
methyl 5-nitrothiophene-2-carboxylate

Structure

methyl 5-nitrothiophene-2-carboxylate
Name: methyl 5-nitrothiophene-2-carboxylate
Synonyms:
General Information
Product Number: 5832019

CAS Registry Number 5832-01-9
Name:
2-?Thiophenecarboxylic acid, 5-?nitro-?, methyl ester
5-Nitro-2-(methoxycarbonyl)thiophene
Methyl 5-nitro-2-thienylcarboxylate
Methyl 5-nitro-2-thiophenecarboxylate

 

Chemical Formula: C6H5NO4S
Exact Mass: 186.99
Molecular Weight: 187.17
m/z: 186.99 (100.0%), 188.00 (6.7%), 188.99 (4.5%), 187.99 (1.2%), 189.00 (1.1%)

 

InChI:InChI=1S/C6H5NO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3

InChI Key:ROZWUNOYMSUTKS-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC=C(S1)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 99 °C   (4)CAS
Melting Point 78-79 °C   (5)IC
Melting Point 76 °C   (4)CAS
Melting Point 75 °C   (6)CAS
Melting Point 74-76 °C   (7)IC
Melting Point 74-75 °C   (8)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (4) Rinkes, I. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1932, V51, P1134-42 CAPLUS
  2. (5) Cogolli, Pietro; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1980, (9), P1331-5 CAPLUS
  3. (6) Fournari, Pierre; Bulletin de la Societe Chimique de France 1963, P479-84 CAPLUS
  4. (7) Kitagawa, Tokujiro; Chemical & Pharmaceutical Bulletin 1987, V35(10), P4294-301 CAPLUS
  5. (8) Nishimura, Shoji; Nippon Kagaku Zasshi 1961, V82, P1686-7 CAPLUS
  6. (9) Gauthier, B.; Annales Pharmaceutiques Francaises 1953, V11, P509-22 CAPLUS
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