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CAS Number: 4506-45-0
5-chloro-2-formylbenzoic acid

Structure

5-chloro-2-formylbenzoic acid
Name: 5-chloro-2-formylbenzoic acid
Synonyms:
General Information
Product Number: 4506450

CAS Registry Number 4506-45-0
Name:
Benzoic acid, 5-​chloro-​2-​formyl-
Phthalaldehydic acid, 5-chloro- (6CI,7CI,8CI)
5-Chloro-2-formylbenzoic acid

 

Chemical Formula: C8H5ClO3
Exact Mass: 183.99
Molecular Weight: 184.58
m/z: 183.99 (100.0%), 185.99 (32.0%), 185.00 (8.8%), 186.99 (2.8%)

 

InChI:InChI=1S/C8H5ClO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)

InChI Key:NQAMSLASTWZONN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Cl)C(=O)O)C=O

 

Thermal Properties Value Condition Note
Melting Point 140 °C   (1)CAS
Melting Point 140 °C   (2)CAS
Melting Point 137-138 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 136-138 °C   (4)CAS
Melting Point 136-138 °C   (5)CAS
Melting Point 122-124 °C   (6)CAS

Specification

98%

References
  1. (1) FR 5606 1968 CAPLUS
  2. (2) Fouche, Jean C. L.; DE 1809557 1969 CAPLUS
  3. (3) Pokhodylo, N. T.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2010, V46(2), P140-145 CAPLUS
  4. (4) NL 6414607 1965 CAPLUS
  5. (5) NL 6414548 1965 CAPLUS
  6. (6) Vaughan, Wyman R.; Journal of the American Chemical Society 1946, V68, P1314-16 CAPLUS
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