Metolachlor

C₁₅H₂₂ClNO₂CAS 51218-45-2283.80 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ether

Properties

Molecular formula: C₁₅H₂₂ClNO₂
Molar mass: 283.80 g/mol
Exact mass: 283.1339 Da
Density: 1.12 g/mL (at 20 °C)
Melting point: −62.1 °C
Boiling point: 100 °C
Flash point: 93.3 °C (closed cup)
Water solubility: 530 mg/L (20 °C)
logP: 3.16Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Danger

H317 May cause an allergic skin reaction94.4% of notifiers
H330 Fatal if inhaled53.5% of notifiers
H400 Very toxic to aquatic life42.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects42.3% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P316, P320, P321, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

51218-45-2

SMILES

CCc1cccc(C)c1N(C(=O)CCl)C(C)COC

InChIKey

WVQBLGZPHOPPFO-UHFFFAOYSA-N

InChI

InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3

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Names and synonyms

17 names · show all

Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
CGA 24705
Dual
Metetilachlor
Codal
N-(1-Methyl-2-methoxyethyl)-N-chloroacetyl-2-ethyl-6-methylaniline
Dual triple
Pennant
Dual 720EC
Yibingjiacaoan
Dual II
Dual magnum
Dual 960 EC
Jindual
Metoken
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

Work with Metolachlor

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

Acetochlor34256-82-155 % similar Alachlor15972-60-855 % similar Pretilachlor51218-49-646 % similar Butachlor23184-66-945 % similar Metalaxyl57837-19-143 % similar (R)-Metalaxyl70630-17-043 % similar Propachlor1918-16-737 % similar Metazachlor67129-08-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propisochlor86763-47-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia