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CAS Number: 16726-66-2
3-bromo-1-naphthoic acid

Structure

 3-bromo-1-naphthoic acid
Name: 3-bromo-1-naphthoic acid
Synonyms:
General Information
Product Number: 16726662

CAS Registry Number 16726-66-2
Name:
1-?Naphthalenecarboxyli?c acid, 3-?bromo-
1-Naphthoic acid, 3-bromo- (6CI,7CI,8CI)
3-Bromo-1-naphthoic acid
3-Bromonaphthalene-1-carboxylic 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/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14)

InChI Key:SBGVNBGHCCLMRR-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=C(C=C2C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 237-238 °C   (2)CAS
Melting Point 237-238 °C   (3)CAS
Melting Point 236 °C   (4)CAS
Melting Point 233-234 °C   (5)CAS

Specification

98%
References
  1. (2) Rule, H. Gordon; Journal of the Chemical Society 1937, P1764-7 CAPLUS
  2. (3) Karishin, A. P.; Zhurnal Obshchei Khimii 1963, V33(7), P2247-50 CAPLUS
  3. (4) Fischer, A.; Journal of the Chemical Society 1958, P1426-30 CAPLUS
  4. (5) Dewar, Michael J. S.; Journal of the American Chemical Society 1962, V84, P3541-6 CAPLUS
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