Metazachlor

C₁₄H₁₆ClN₃OCAS 67129-08-2277.75 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₁₄H₁₆ClN₃O
Molar mass: 277.75 g/mol
Exact mass: 277.0982 Da
Density: 1.237–1.323 g/mL (at 25 °C)
Melting point: 85 °C
logP: 2.73Crippen estimate
Polar surface area: 38.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H351 Suspected of causing cancerCarcinogenicity
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 616-205-00-9), via PubChem.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

67129-08-2

SMILES

Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl

InChIKey

STEPQTYSZVCJPV-UHFFFAOYSA-N

InChI

InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-
2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide
BAS 479H
BAS 47902H
Butisan S
Methazachlor
Pree
Butisan
BAS 479
Butisan 400SC
Sultan

Work with Metazachlor

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

Acetochlor34256-82-145 % similar Propisochlor86763-47-542 % similar Metolachlor51218-45-237 % similar Alachlor15972-60-836 % similar Pretilachlor51218-49-633 % similar Butachlor23184-66-933 % similar Metalaxyl57837-19-133 % similar (R)-Metalaxyl70630-17-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone459168-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook