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CAS Number: 22433-91-6
2-bromoisophthalic acid

Structure

2-bromoisophthalic acid
Name: 2-bromoisophthalic acid
Synonyms:
General Information
Product Number: 22433916

CAS Registry Number 22433-91-6
Name:
1,?3-?Benzenedicarboxylic acid, 2-?bromo-
Isophthalic acid, 2-bromo- (6CI,8CI)
2-Bromo-1,3-benzenedicarboxylic acid
2-Bromoisophthalic acid
NSC 312822
NSC 312849

 

Chemical Formula: C8H5BrO4
Exact Mass: 243.94
Molecular Weight: 245.03
m/z: 243.94 (100.0%), 245.94 (98.4%), 244.94 (8.9%), 246.94 (8.7%), 247.94 (1.1%)

 

InChI:InChI=1S/C8H5BrO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI Key:LOICBODWTPYJIW-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point >250 °C   (1)CAS
Melting Point 218-221 °C   (3)CAS
Melting Point 218-220 °C   (4)IC
Melting Point 218 °C   (6)CAS
Melting Point 217-218 °C   (2)CAS
Melting Point 215-217 °C   (7)CAS
Melting Point 209-210 °C   (8)CAS

Specification

98%

References
  1. (1) Courchay, Florence C.; Organometallics 2006, V25(26), P6074-6086 CAPLUS
  2. (2) Cuenca, Francisco; Bioorganic & Medicinal Chemistry Letters 2009, V19(17), P5109-5113 CAPLUS
  3. (3) Ye, Long; Tetrahedron 2009, V65(42), P8738-8744 CAPLUS
  4. (4) Miyano, Sotaro; Bulletin of the Chemical Society of Japan 1986, V59(10), P3285-6 CAPLUS
  5. (6) Coulson, Edward A.; Journal of the Chemical Society 1937, P1298-1305 CAPLUS
  6. (7) Bunnett, J. F.; Journal of Organic Chemistry 1956, V21, P934-8 CAPLUS
  7. (8) George, Tesmol G.; Bioorganic & Medicinal Chemistry 2007, V15(18), P6071-6079 CAPLUS
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