Basic information
- CAS
178961-20-1- Standard SMILES
CCc1cccc(C)c1N(C(=O)CCl)[C@H](C)COC- InChIKey
WVQBLGZPHOPPFO-GFCCVEGCSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Overview
(R)-metolachlor is the (R)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide. It is an enantiomer of a (S)-metolachlor.
Names & identifiers
- Preferred name
- (R)-Metolachlor
- IUPAC
- 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
- English name
- 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]acetamide
- Molecular formula
- C15H22ClNO2
- Molecular weight
- 283.79
Names & synonyms
(R)-Metolachlor178961-20-1R-MetolachlorMetolachlor, R-UNII-01UCU472ZD01UCU472ZD2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamideMETOLACHLOR, (R)-Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1R)-2-methoxy-1-methylethyl)-Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-, (R)-CHEBI:83646DTXSID00897437
Show more names
Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1R)-2-methoxy-1-methylethyl]-(r)-2-chloro-n-(2-ethyl-6-methylphenyl)-n-(2-methoxy-1-methylethyl)acetamide2-chloro-N-(2-ethyl-6-methylphenyl)-N-((2R)-1-methoxypropan-2-yl)acetamideRefChem:70317DTXCID0013267782-CHLORO-N-(2-ETHYL-6-METHYLPHENYL)-N-[(1R)-2-METHOXY-1-METHYLETHYL]ACETAMIDE(R)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide2-Chloro-N-(2-ethyl-6-methylphenyl)-N-[(1S)-2-methoxy-1-methylethyl]acetamide
Database identifiers
- CAS
178961-20-1- PubChem CID
- 11601631
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 406.8 · 406.8±45.0 °C(Predicted)
- Density
- 1.1 · 1.100
- pka
- 1.45 · 1.45±0.50(Predicted)
- FDA UNII
- 1 UCU472ZD · 01UCU472ZD
- EPA Substance Registry System
- 2 · Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1R)-2-methoxy-1-methylethyl]- (178961-20-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Not Classified
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Hazard Classes and Categories
Skin sensitisation - category 1
Skin sensitization - Category 1
Chemistry & industry
Applications
Uses(R)-Metolachlor is the R-enantiomer of Metolachlor (M338700(P)), which is an acyanilide herbicide similar to selective pre-emergence herbicides. It is a contaminant in the groundwater and potential pollutant. This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
Suppliers9 total
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
湖北中隆康盛精细化工有限公司027-027-82752821 18186694582 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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