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CAS Number: 6314-28-9
benzo[b]thiophene-2-carboxylic acid

Structure

benzo[b]thiophene-2-carboxylic acid
Name: benzo[b]thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 6314289
CAS Number:
6314-28-9
Name:
Benzo[b]thiophene-2-carboxylic acid
Formula:
C9H6O2S
Molecular Weight:
178.20
Synonyms:
2-Benzo[b]thiophenecarboxylicacid;2-Carboxybenzothiophene;BL 5583;Benzothiofuran-2-carboxylic acid;Benzothiophene-2-carboxylic acid;NSC 112990;NSC 40258;Thionaphthene-2-carboxylic acid;
MDL Number. MFCD00051636.
SMILES: OC(=O)c1cc2c(s1)cccc2
InChI:   1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey:   DYSJMQABFPKAQM-UHFFFAOYSA-N
Reaxys-RN 124613
PubChem SID 87564912
Merck Index(14) 9345
 Transport Information
HS Number 2934.99.4400
 Appearance:
off-white to yellowish-beige crystalline powder
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety:
37/39-26-36
 
Thermal Properties Value Condition Note
Melting Point 242-243 °C   (5)CAS
Melting Point 240-241.5 °C   (6)CAS
Melting Point 239-240 °C Solv: ethanol (64-17-5); water (7732-18-5) (7)IC
Melting Point 236-238 °C   (8)IC
Melting Point 234-236 °C   (9)CAS
Melting Point 224-225 °C   (3)CAS
Melting Point 174-175 °C   (10)CAS
Melting Point 174-175 °C   (11)CAS
Melting Point 114 °C   (12)CAS
 

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Takaya, Jun; Organic Letters 2008, V10(13), P2697-2700 CAPLUS
  3. (3) Pessoa-Mahana, Hernan; Heterocycles 2008, V75(8, 7/30/08), P1913-1929 CAPLUS
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) Gaertner, Russell; Journal of the American Chemical Society 1952, V74, P4950-1 CAPLUS
  6. (6) Farrar, Martin W.; Journal of the American Chemical Society 1950, V72, P4433-6 CAPLUS
  7. (7) Gronowitz, Salo; Acta Pharmaceutica Suecica 1978, V15(5), P368-81 CAPLUS
  8. (8) Higa, Tatsuo; Journal of Organic Chemistry 1976, V41(21), P3399-403 CAPLUS
  9. (9) Gronowitz, Salo; Arkiv foer Kemi 1954, V7, P361-9 CAPLUS
  10. (10) Crook, Eric M.; Journal of the Chemical Society 1937, P1697-8 CAPLUS
  11. (11) Challenger, Frederick; Journal of the Chemical Society 1939, P1005-8 CAPLUS
  12. (12) Friedlander, P.; Berichte der Deutschen Chemischen Gesellschaft 1912, V45, P2083-90 CAPLUS
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