Furilazole
Basic information
- CAS
121776-33-8- Standard SMILES
CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl- InChIKey
MCNOFYBITGAAGM-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NO3
- Average molar mass
- 278.13 g/mol
- Monoisotopic mass
- 277.0272487
Overview
MON 13900 (Furilazole) can cause cancer according to The Environmental Protection Agency (EPA).
Names & identifiers
- Preferred name
- Furilazole
- IUPAC
- 2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
- English name
- Furilazole
- Molecular formula
- C11H13Cl2NO3
- Molecular weight
- 278.13
Names & synonyms
Furilazole121776-33-8MON 139003-(Dichloroacetyl)-5-(2-furanyl)-2,2-dimethyloxazolidineFurilazole [ISO:BSI]Nanogen Index Code FUA (3-010)G25K04N8Z5FURILAZOLE [ISO]MON-13900DTXSID4041999(RS)-3-Dichloroacetyl-5-(2-furanyl)-2,2-dimethyl-1,3-oxazolidineOxazolidine, 3-(dichloroacetyl)-5-(2-furanyl)-2,2-dimethyl-
Show more names
MON13900FurizaloleFurilazole StandardC13977000 FurilazoleFurilazole (MON-13900)Methotrexate Impurity 84Furilazole Solution, 100ppmOxazolidine@100 μg/mL in MethanolFurilazole 100 μg/ml AcetonitrileMON13900,Furilazole,Inhibitor,inhibit,MON-13900
ETHANONE, 2,2-DICHLORO-1-(5-(2-FURANYL)-2,2-DIMETHYL-3-OXAZOLIDINYL)-rac-furilazoleracemic furilazolerac-2,2-dichloro-1-(5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanonerac-2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone(+-)-furilazoleRefChem:607816DTXCID2021999
Database identifiers
- CAS
121776-33-8- PubChem CID
- 86187
- DTXSID
DTXSID4041999- ChEMBL
CHEMBL2269063- ChEBI
CHEBI:147438- UNII
- G25K04N8Z5
- EC Number
- 601-807-6
- Nikkaji
- J1.304.182B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
PesticidesPesticide (Furilazole) -> USDA PDB
LogP2.12
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 376.8 · 376.8±42.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in DMSO
- pka
- -2.32 · -2.32±0.60(Predicted)
- Water Solubility
- 160 mg/L · 160mg/L at 20℃
- BRN
- 11343170 · 11343170
- Henry's Law Constant
- 1.1 · 1.1×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Major Application
- agricultureenvironmental
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 198 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity; Reproductive Toxicity
Furilazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Furilazole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
RAIS Toxicity Values
0.1
OPP
0.0009
OPP
0.0274
OPP
EPA Human Health Benchmarks for Pesticides
Furilazole
0.1
3000
Females 13-49 yrs
0.0009
5
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesFurilazole is a novel herbicide safener for gramineous crops.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is a member of the class of oxazolidines that is 2,2-dimethyl-1,3-oxazolidine which is substituted by a dichloroacetyl group at position 3 and by a furan-2-yl group at position 5. It is a member of furans, an organochlorine compound, a member of oxazolidines and a tertiary carboxamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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