5-Chloro-2-formyl-benzoic acid

CAS

4506-45-0

Catalog Number

ACM4506450

Category

Other Products

Molecular Weight

184.58

Molecular Formula

C8H5ClO3

MSDS COA Spec Sheet

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Specification

Synonyms

5-chloro-2-formylbenzoic acid, 5-chloro-2-formyl-benzoic Acid, 4506-45-0, AC1OGVCA, PubChem16943, CTK7H9580, MolPort-000-164-431, ANW-68302, CL8127, AKOS005209317, AK-79888, KB-73420, KB-197332

IUPAC Name

5-chloro-2-formylbenzoic acid

Canonical SMILES

C1=CC(=C(C=C1Cl)C(=O)O)C=O

InChI Key

NQAMSLASTWZONN-UHFFFAOYSA-N

Boiling Point

347ºC at 760 mmHg

Flash Point

163.7ºC

Density

1.469g/cm³

Exact Mass

183.99300

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

21739-93-5
68-12-2

4506-45-0

Reference: [1] Tetrahedron Letters, 2018, p. 1564 - 1567

Upstream Synthesis Route 2

19641-29-3

4506-45-0

Reference: [1] Journal of Heterocyclic Chemistry, 2006, vol. 43, # 5, p. 1195 - 1204
[2] Chemistry of Heterocyclic Compounds, 2010, vol. 46, # 2, p. 140 - 145
[3] Organic Letters, 2014, vol. 16, # 24, p. 6366 - 6369
[4] Organic and Biomolecular Chemistry, 2015, vol. 13, # 44, p. 10874 - 10880

Upstream Synthesis Route 3

40125-48-2

4506-45-0

Reference: [1] Chemistry of Heterocyclic Compounds, 2010, vol. 46, # 2, p. 140 - 145
[2] Journal of Heterocyclic Chemistry, 2006, vol. 43, # 5, p. 1195 - 1204
[3] Journal of Organic Chemistry, 2010, vol. 75, # 2, p. 368 - 374