2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine

HCID 62019

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 52836-31-4
Standard SMILES: CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1
InChIKey: YNQSILKYZQZHFJ-UHFFFAOYSA-N
Molecular formula: C8H13Cl2NO2
Average molar mass: 226.1 g/mol
Monoisotopic mass: 225.032334

Names & identifiers

Preferred name: 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
IUPAC: 2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
English name: 3-(Dichloroacetyl)-2,2,5-trimethyloxazolidine
Molecular formula: C8H13Cl2NO2
Molecular weight: 226.1

Names & synonyms

52836-31-42,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidineJLY7K2SJEK2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine3-(dichloroacetyl)-2,2,5-trimethyl-1,3-oxazolidineOXAZOLIDINE, 3-(DICHLOROACETYL)-2,2,5-TRIMETHYL-DTXSID50280312,2,5-trimethyl-3-(dichloroacetyl)oxazolidineRefChem:494821DTXCID108031258-214-73-(Dichloroacetyl)-2,2,5-trimethyloxazolidine

Show more names

2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)ethanoneEthanone,2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

2,2-Dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethanone2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone2,2,5-trimethyl-3-dichloroacetyl oxazolidineR 291482,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethan-1-one2,2-dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethan-1-oneR-29148Ethanone, 2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

Database identifiers

CAS: 52836-31-4
PubChem CID: 62019
DTXSID: DTXSID5028031
ChEMBL: CHEMBL2269057
ChEBI: CHEBI:147358
UNII: JLY7K2SJEK
EC Number: 258-214-7
Nikkaji: J10.893F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 85 · 85 - 88°C
storage temp.: Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
FDA UNII: 7 K2SJEK · JLY7K2SJEK
EPA Substance Registry System: 2 · 2,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidine (52836-31-4)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-: INACTIVE

Applications

Uses3-(Dichloroacetyl)-2,2,5-trimethyloxazolidine is used in the synthesis ofherbicidal compositions containing methiozolin.

Suppliers7 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

深圳康特腾科技有限公司86-0755-86635001 · [email protected]

艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

Qingdao kaimoshi biochemical technology co., ltd.+86-0571-87191913 +86-19957014543 · [email protected]

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Additional notes · 1 item

DefinitionChEBI: R-29148 is a member of the class of oxazolidines that is 1,3-oxazolidine which is substituted by two methyl groups, dichloroacetyl group and a methyl group at positions 2, 3 and 5, respectively. It is a herbicide safener. It has a role as a herbicide safener. It is a member of oxazolidines, a tertiary carboxamide and an organochlorine compound.