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CAS Number: 16726-67-3
5-bromo-1-naphthoic acid

Structure

5-bromo-1-naphthoic acid
Name: 5-bromo-1-naphthoic acid
Synonyms:
General Information
Product Number: 16726673

CAS Registry Number 16726-67-3
Name:
1-?Naphthalenecarboxyli?c acid, 5-?bromo-
1-Naphthoic acid, 5-bromo- (6CI,7CI,8CI)
5-Bromo-1-naphthalenecarboxylic acid
5-Bromo-1-naphthoic acid
5-Bromo-1-naphthylcarboxylic acid

 

Chemical Formula: C11H7BrO2
Exact Mass: 249.96
Molecular Weight: 251.08
m/z: 249.96 (100.0%), 251.96 (97.3%), 250.97 (12.1%), 252.96 (11.6%), 251.97 (1.1%), 253.97 (1.0%)

 

InChI:InChI=1S/C11H7BrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)

InChI Key:SZFXXNVLSUTKJF-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 254-256 °C   (3)IC
Melting Point 245-247 °C   (4)CAS
Melting Point 242 °C   (5)IC
Melting Point 205-206 °C Solv: acetic acid (64-19-7) (2)CAS

Specification

98%

References
  1. (2) Li, Zhigang; Tetrahedron 2005, V61(36), P8711-8717 CAPLUS
  2. (3) Baldwin, Jack E.; Tetrahedron 1990, V46(8), P3019-28 CAPLUS
  3. (4) Nightingale, Dorothy V.; Journal of Organic Chemistry 1960, V25, P32-4 CAPLUS
  4. (5) Hagen, Helmut; DE 3837926 A1 1990 CAPLUS
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