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CAS Number: 7311-70-8
2,5-dibromothiophene-3-carboxylic acid

Structure

2,5-dibromothiophene-3-carboxylic acid
Name: 2,5-dibromothiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 7311708
CAS Registry Number: 7311-70-8
Name:
        3-​Thiophenecarboxylic acid, 2,​5-​dibromo-
        2,​5-​Dibromo-​3-​thiophenecarboxylic acid; NSC 109395 
 
Chemical Formula: C5H2Br2O2S
Exact Mass: 283.81
Molecular Weight: 285.94
m/z: 285.81 (100.0%), 287.81 (52.0%), 283.81 (50.2%), 286.82 (5.4%), 288.81 (3.2%), 284.82 (2.8%), 289.81 (2.4%)
Elemental Analysis: C, 21.00; H, 0.70; Br, 55.89; O, 11.19; S, 11.21
 
InChI: InChI=1S/C5H2Br2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
InChIKey: PZBUYFPAASJYSI-UHFFFAOYSA-N
Canonical SMILES : C1=C(SC(=C1C(=O)O)Br)Br
 
Thermal Properties Value Condition Note
Melting Point 178 °C   (3)CAS
Melting Point 176-177 °C   (5)CAS
Melting Point 175-176 °C Solv: water (7732-18-5) (6)CAS
Melting Point 59-60 °C   (7)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Kim, Dae-Sik; Journal of Organic Chemistry 2008, V73(17), P6831-6834 CAPLUS
  3. (3) McTiernan, Christopher D.; New Journal of Chemistry 2010, V34(7), P1417-1423 CAPLUS
  4. (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  5. (5) Sone, Cho; Nippon Kagaku Zasshi 1965, V86(11), P1185-90 CAPLUS
  6. (6) Campaigne, E. E.; Journal of the American Chemical Society 1954, V76, P2445-7 CAPLUS
  7. (7) Nishimura, Shoji; Bulletin of University of Osaka Prefecture, Series A: Engineering and Natural Sciences 1958, V6, P127-34 CAPLUS
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