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CAS Number: 76575-71-8
methyl 3-amino-5-methylthiophene-2-carboxylate

Structure

methyl 3-amino-5-methylthiophene-2-carboxylate
Name: methyl 3-amino-5-methylthiophene-2-carboxylate
Synonyms:
General Information
Product Number: 76575718
CAS Registry Number: 76575-71-8
Name:
        2-​Thiophenecarboxylic acid, 3-​amino-​5-​methyl-​, methyl ester
        Methyl 3-​amino-​5-​methylthiophene-​2-​carboxylate 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3
InChIKey: FVKMOPIFLCMZMI-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(S1)C(=O)OC)N
 
Thermal Properties Value Condition Note
Melting Point 84-85 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 72 °C   (3)CAS
Melting Point 72 °C   (4)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Fiesselmann, Hans; DE 1083830 1960 CAPLUS
  3. (3) GB 837086 1960 CAPLUS
  4. (4) Fiesselmann, Hans; DE 1055007 1959 CAPLUS
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