Basic information
- CAS
58810-48-3- Standard SMILES
Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O- InChIKey
OWDLFBLNMPCXSD-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO3
- Average molar mass
- 281.73 g/mol
- Monoisotopic mass
- 281.0818711
Overview
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide is an aromatic amide that is 2,6-dimethylaniline in which the two amino hydrogens are replaced by chloroacetyl and 2-oxotetrahydrofuran-3-yl groups. It is a tertiary carboxamide, a butan-4-olide, an organochlorine compound and an aromatic amide.
Names & identifiers
- Preferred name
- Ofurace
- IUPAC
- 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
- English name
- Ofurace
- Molecular formula
- C14H16ClNO3
- Molecular weight
- 281.73
Names & synonyms
Ofurace58810-48-3MilfuramRE 20615E42Y2VBK3DAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)-RE-20615DTXSID6058138(+-)-alpha-2-Chloro-N-2,6-xylylacetamido-gamma-butyrolactone2-Chloro-2',6'-dimethyl-N-(2-oxotetrahydro-3-furyl)acetanilideRefChem:856162DTXCID2031906
Show more names
VAMINPATAFOLre20615ortho20615chevron20615Ofurace solutionC15718000 OfuraceOfurace (Standard)
CHEBI:81969Ortho 206152-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamideMilfuram; RE 206152-Chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)acetamideACETANILIDE, 2-CHLORO-2',6'-DIMETHYL-N-(2-OXOTETRAHYDRO-3-FURYL)-Chevron 20615
Database identifiers
- CAS
58810-48-3- PubChem CID
- 42850
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP1.39
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 145.5 °C · 145.5 °C
- Boiling point
- 482.7 · 482.7±45.0 °C(Predicted)
- Density
- 1.1985 · 1.1985 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 1.35 · 1.35±0.20(Predicted)
- color
- White
- BRN
- 1653655 · 1653655
- Henry's Law Constant
- 1.1 · 1.1×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)-
2002/2076
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- AE1300200
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesOfurace is a systematic fungicide used to control diseases caused by phycomycetes. Ofurace is commonly used in agriculture to control potato late blight.
Suppliers30 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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