Dimethachlor

HCID 39722CAS 50563-36-5
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCN(C(=O)CCl)c1c(C)cccc1C
InChIKey
SCCDDNKJYDZXMM-UHFFFAOYSA-N
Molecular formula
C13H18ClNO2
Average molar mass
255.74 g/mol
Monoisotopic mass
255.1026065

Names & identifiers

Preferred name
Dimethachlor
IUPAC
2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide
English name
DIMETHACHLOR
Molecular formula
C13H18ClNO2
Molecular weight
255.74

Names & synonyms

DIMETHACHLOR50563-36-5Teridox2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamideDimethachloreDimethachlor [BSI:ISO]Dimethachlor [ISO]Dimethachlore [ISO-French]DimethachloroAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-EINECS 256-625-6UNII-3G91ARZ496
Show more names
a4766a5089CGA-17024imethachlorDimethochlorHarness(Mohasnto)dimethachlor (bsi,iso,wssa)
BRN 29829912-Chloro-N-(2-methoxyethyl)acet-2',6'-xylidide3G91ARZ496A 4766A 5089CGA-170202,6-Dimethyl-N-(2-methoxyethyl)chloroacetanilide2,6-Acetoxylidide, 2-chloro-N-(2-methoxyethyl)-

Database identifiers

CAS
50563-36-5
PubChem CID
39722
DTXSID
DTXSID3058111
ChEMBL
CHEMBL1374401
ChEBI
CHEBI:81911
UNII
3G91ARZ496
EC Number
256-625-6
Nikkaji
J10.486H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1847.7

1863

Collision Cross Section · 2 items

151.68 Ų [M+H]+；165.1 Ų [M+Na]+

151.73 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]；150.68 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

Physicochemical properties

Melting point
46 °C · 46°C
Boiling point
320 °C · 320°C (rough estimate)
Density
1.1266 · 1.1266 (rough estimate)
refractive index
1.527 · 1.5270 (estimate)
storage temp.
0 · 0-6°C
pka
1.57 · 1.57±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1490/2002

2009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 items

Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Acute toxicity - category 4；Skin sensitisation - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1

Acute Tox. 4 *；Skin Sens. 1；Aquatic Acute 1；Aquatic Chronic 1

Regulatory information

Regulatory Information · 2 items

Commission Regulation (EC) No 1490/2002

2009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
AB5438000
ridadr
UN3077 9/PG 3
risk_code
22-43-50/53

Chemistry & industry

Uses & manufacturing

Use Classification · 3 items

Pharmaceuticals

Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides

Environmental transformation -> Pesticides (parent, predecessor)

General Manufacturing InformationAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-: INACTIVE
Applications · 2 items

DescriptionDimethachlor is a pre-emergence herbicide. It is highly soluble in water and has a low volatility. It is not expected to be persistent in soil systems but may be persistent in aquatic systems depending on local conditions. Based on its physico-chemical properties, dimethachlor is not expected to leach to groundwater. It is highly toxic to algae, moderately toxic to other aquatic species, birds and earthworms, and a low toxicity to honeybees. Dimethachlor has a moderate toxicity to mammals if ingested and is an irritant.

UsesDimethachlor is a pesticide.

Upstream & downstream products

Suppliers25 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海毕楷科技有限公司18516304666

Additional notes

DefinitionChEBI: An organochlorine compound that is 2-chloroacetamide substituted by a 2-methoxyethyl and a 2,6-dimethylphenyl group at the nitrogen atom.

Related reactions

1 records
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Linked notes

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