Clomazone

C₁₂H₁₄ClNO₂CAS 81777-89-1239.70 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₁₂H₁₄ClNO₂
Molar mass: 239.70 g/mol
Exact mass: 239.0713 Da
Density: 1.192 g/mL (at 25 °C)
Melting point: 25 °C
Boiling point: 275 °C
Flash point: -78.3 °C (closed cup)
logP: 2.64Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H332 Harmful if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-340-00-5), via PubChem.

Precautionary statements

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, P501

Identifiers

CAS number

81777-89-1

SMILES

CC1(C)CON(Cc2ccccc2Cl)C1=O

InChIKey

KIEDNEWSYUYDSN-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all

3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-
2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
Dimethazone
FMC 57020
Command
Command EC
Command (pesticide)
Command 3ME
Cirrus 50WP
Cirrus
F 57020
Gamit
Centium 360CS
Isooxadiazon
Command 480 EC
2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one

Work with Clomazone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-chlorobenzeneacetate57486-68-740 % similar 1-(2-Chlorophenyl)propan-2-one6305-95-940 % similar o-Chlorophenylacetic acid2444-36-237 % similar 1-((2-Chlorophenyl)methyl)piperazine17532-19-336 % similar N-(2-Chlorobenzyloxycarbonyloxy)succinimide65853-65-836 % similar 1-Chloro-2-ethylbenzene89-96-336 % similar 3-(2-Chlorophenyl)propionic acid1643-28-335 % similar Boc-2-chloro-L-phenylalanine114873-02-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide863127-76-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia