Methyl 2,4-dichlorobenzoate

C8H6Cl2O2CAS 35112-28-8205.03 g/mol

Open in Covalent MOL file
OOClCl
Aryl halideEster

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
Density
1.572 g/mL (at 20 °C)
Melting point
154–155 °C
Boiling point
132 °C (at 15 Torr)
logP
2.78Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35112-28-8
SMILES
COC(=O)c1ccc(Cl)cc1Cl
InChIKey
VCRWILYAWSRHBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names
  • Benzoic acid, 2,4-dichloro-, methyl ester

Work with Methyl 2,4-dichlorobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichlorobenzoyl peroxide133-14-272 % similar Methyl 2-amino-4-chlorobenzoate5900-58-369 % similar 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-767 % similar Methyl 4-amino-2-chlorobenzoate46004-37-967 % similar Methyl 2-bromo-4-chlorobenzoate57381-62-167 % similar Methyl 2-chlorobenzoate610-96-867 % similar Methyl 2-chloro-4-fluorobenzoate85953-29-367 % similar Ethyl 2,4-dichlorobenzoate56882-52-165 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,6-dichlorobenzoate14920-87-7 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,3-dichlorobenzoate2905-54-6 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 5-Chloro-2-methoxybenzoyl chloride29568-33-0

Elsewhere

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