Dicamba

C₈H₆Cl₂O₃CAS 1918-00-9221.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₆Cl₂O₃
Molar mass: 221.03 g/mol
Exact mass: 219.9694 Da
Density: 1.57 g/mL (at 25 °C)
Melting point: 114–116 °C
pKa: 1.97
Water solubility: 8.31 g/L (25 °C)
logP: 2.70Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H318 Causes serious eye damageSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-043-00-X), via PubChem.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

1918-00-9

SMILES

COc1c(Cl)ccc(Cl)c1C(=O)O

InChIKey

IWEDIXLBFLAXBO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

19 names · show all

Benzoic acid, 3,6-dichloro-2-methoxy-
o-Anisic acid, 3,6-dichloro-
3,6-Dichloro-2-methoxybenzoic acid
3,6-Dichloro-o-anisic acid
2,5-Dichloro-6-methoxybenzoic acid
Mediben
2-Methoxy-3,6-dichlorobenzoic acid
Velsicol compound R
Velsicol 58CS11
Dianat
MDBA
Banvel
Banvel SGF
Vanquish
Banvel 70WP
DC
Aviator
Celebrity B
Mais banvel WG

Work with Dicamba

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

3-Chloro-2-methoxybenzoic acid3260-93-364 % similar 2,6-Dichlorobenzoic acid50-30-656 % similar 2,3,6-Trichlorobenzoic acid50-31-756 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar 3,6-Dichlorosalicylic acid3401-80-754 % similar 2-Chloro-5-methoxybenzoic acid6280-89-354 % similar 4-Chloro-3-methoxybenzoic acid85740-98-354 % similar 3,6-Dichloroanthranilic acid3032-32-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dichlorophenoxyacetic acid2976-74-1 Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-5 2,4-Dichlorophenoxyacetic acid94-75-7

Elsewhere

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