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Structure

2,3-Dichlorobenzoic acid

CAS
50-45-3
Catalog Number
ACM50453
Category
Other Products
Molecular Weight
191.01
Molecular Formula
C7H4Cl2O2

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Specification

Synonyms
2,3-dichloro-benzoicaci;RARECHEM AL BO 0323;TIMTEC-BB SBB003641;2,3-DICHLOROBENZOIC ACID;2,3-DICHLOROBENZOIC ACID PESTANAL, 250 M;2,3-Dichlorobenzoicacid,98%;2,3-Dichlorobenzoic;2,3-Dichlorbenzoesure
Melting Point
168-170°C(lit.)
Hazard Statements
Xi
Safety Description
26-37/39-36-24/25
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
What is the molecular formula of 2,3-Dichlorobenzoic acid?

The molecular formula of 2,3-Dichlorobenzoic acid is C7H4Cl2O2.

What is the molecular weight of 2,3-Dichlorobenzoic acid?

The molecular weight of 2,3-Dichlorobenzoic acid is 191.01 g/mol.

What is the IUPAC name of 2,3-Dichlorobenzoic acid?

The IUPAC name of 2,3-Dichlorobenzoic acid is 2,3-dichlorobenzoic acid.

What is the InChIKey of 2,3-Dichlorobenzoic acid?

The InChIKey of 2,3-Dichlorobenzoic acid is QAOJBHRZQQDFHA-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3-Dichlorobenzoic acid?

The canonical SMILES of 2,3-Dichlorobenzoic acid is C1=CC(=C(C(=C1)Cl)Cl)C(=O)O.

What is the CAS number of 2,3-Dichlorobenzoic acid?

The CAS number of 2,3-Dichlorobenzoic acid is 50-45-3.

What is the European Community (EC) number of 2,3-Dichlorobenzoic acid?

The European Community (EC) number of 2,3-Dichlorobenzoic acid is 200-039-5.

What is the ChEMBL ID of 2,3-Dichlorobenzoic acid?

The ChEMBL ID of 2,3-Dichlorobenzoic acid is CHEMBL1353833.

What is the monoisotopic mass of 2,3-Dichlorobenzoic acid?

The monoisotopic mass of 2,3-Dichlorobenzoic acid is 189.9588348 g/mol.

How many hydrogen bond donor counts does 2,3-Dichlorobenzoic acid have?

2,3-Dichlorobenzoic acid has 1 hydrogen bond donor count.

Upstream Synthesis Route 1

  • 6334-18-5
  • 38594-42-2
  • 50-45-3

Reference: [1] Monatshefte fuer Chemie, 1959, vol. 90, p. 683,687

Upstream Synthesis Route 2

  • 32768-54-0
  • 50-45-3

Reference: [1]Journal of Organic Chemistry,2006,vol. 71,p. 5043 - 5046
[2]European Journal of Organic Chemistry,2008,p. 4877 - 4880
[3]Justus Liebigs Annalen der Chemie,1887,vol. 237,p. 163
[4]Justus Liebigs Annalen der Chemie,1887,vol. 237,p. 163

Downstream Synthesis Route 1

  • 50-45-3
  • 57915-78-3

Reference: [1] Patent: US9096605, 2015, B2,

Downstream Synthesis Route 2

  • 50-45-3
  • 38594-42-2

Reference: [1] Patent: US9096605, 2015, B2,

Downstream Synthesis Route 3

  • 50-45-3
  • 2905-60-4

Reference: [1]Organic Process Research and Development,2017,vol. 21,p. 1815 - 1821

Downstream Synthesis Route 4

  • 50-45-3
  • 1829-32-9

Reference: [1]Synthetic Communications,2002,vol. 32,p. 2055 - 2059
[2]Journal of the Chemical Society,1952,p. 4368,4371

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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