Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • 2,3-Dichlorobenzoic acid
Name:2,3-Dichlorobenzoic acid
CAS No:50-45-3

PRODUCT DESCRIPTION

【Name】
2,3-Dichlorobenzoic acid
【Iupac name】
2,3-dichlorobenzoic acid
【CAS Registry number】
50-45-3
【Synonyms】
Benzoic acid, 2,3-dichloro-
2,3-dichlorobenzoate
2,3-Dichloro benzoic acid
2,3-Dichlorobenzoicacid
【EINECS(EC#)】
200-039-5
【Molecular Formula】
C7H4Cl2O2 (Products with the same molecular formula)
【Molecular Weight】
191.01
【Inchi】
InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)Cl)C(=O)O
【MOL File】
50-45-3.mol

Chemical and Physical Properties

【Appearance】
white or kind of white powder or needle form crystallization
【Density】
1.517 g/cm3
【Melting Point】
166-170℃
【Boiling Point】
306.9 °C at 760 mmHg
【Flash Point】
139.4 °C
【Water】
slightly soluble
【Solubilities】
slightly soluble in Water
【Computed Properties】
Molecular Weight:191.01146 [g/mol]
Molecular Formula:C7H4Cl2O2
XLogP3:2.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:189.958835
MonoIsotopic Mass:189.958835
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Formal Charge:0
Complexity:161
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25;S36
【HazardClass】
IRRITANT

RELATED PRODUCTS