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CAS Number: 114776-15-7
2-chloro-4-fluoro-5-nitrobenzoic acid

Structure

 2-chloro-4-fluoro-5-nitrobenzoic acid
Name: 2-chloro-4-fluoro-5-nitrobenzoic acid
Synonyms:
General Information
Product Number: 114776157

CAS Registry Number 114776-15-7
Name:
Benzoic acid, 2-?chloro-?4-?fluoro-?5-?nitro-
2-Chloro-4-fluoro-5-nitrobenzoic acid

 

Chemical Formula: C7H3ClFNO4
Exact Mass: 218.97
Molecular Weight: 219.55
m/z: 218.97 (100.0%), 220.97 (32.0%), 219.98 (7.8%), 221.97 (2.6%), 220.98 (1.1%)

 

InChI:InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

InChI Key:SYZKAFCPWNFONG-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 183-185 °C   (2)IC
Melting Point 166-168 °C Solv: benzene (71-43-2) (3)CAS

Specification

98%
References
  1. (2) Wheeler, Thomas N.; Synthesis 1987, (10), P883-7 CAPLUS
  2. (3) Sbardella, Gianluca; Farmaco 2004, V59(6), P463-471 CAPLUS
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