Furalaxyl
Basic information
- CAS
57646-30-7- Standard SMILES
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C- InChIKey
CIEXPHRYOLIQQD-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Overview
Methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate is an alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate. It is an alanine derivative, a member of furans, a methyl ester, a carboxamide and an aromatic amide.
Names & identifiers
- Preferred name
- Furalaxyl
- IUPAC
- methyl 2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate
- English name
- FURALAXYL
- Molecular formula
- C17H19NO4
- Molecular weight
- 301.34
Names & synonyms
Furalaxyl57646-30-7FongaridMethyl N-(2-furoyl)-N-(2,6-xylyl)-DL-alaninateA 5430DTXSID4047543CGA 381409OY703A81OMethyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alaninateMethyl N-(2,6-dimethylphenyl)-N-(2-furoyl)-DL-alaninateDTXCID2027543N-(2,6-Dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alanine methyl ester
Show more names
a5430fonganicga38140Fongaridefuralaxyl (bsi,iso)C13960000 FuralaxylFuralaxyl in Acetone
methyl 2-[N-(furan-2-carbonyl)-2,6-dimethyl-anilino]propanoatemethyl 2-(N-(furan-2-carbonyl)-2,6-dimethyl-anilino)propanoateRefChem:607722CHEBI:5194260-875-1FonganilFuralaxyl [BSI:ISO]EINECS 260-875-1
Database identifiers
- CAS
57646-30-7- PubChem CID
- 42504
- DTXSID
DTXSID4047543
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide
Pesticide (Furalaxyl) -> USDA PDB
LogP2.7
Collision Cross Section
161.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4047543]
167.15 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 70 ℃ · 70℃
- Boiling point
- 420.1 · 420.1±45.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- vapor pressure
- 7 x · 7 x 10-5 Pa (20 °C)
- storage temp.
- 2 · 2-8°C
- pka
- 1.35 · 1.35±0.50(Predicted)
- Water Solubility
- 230 mg · 230 mg l-1 (20 °C)
- form
- Solid
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: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-, methyl ester
2002/2076
Furalaxyl: 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 Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- AY6320000
- hs_code
- 29321900
- risk_code
- 22-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Applications
DescriptionFuralaxyl is a acylamino acid fungicide used control diseases caused by Peronosporales fungi especially in ornamental plants. It is moderately soluble in water, is not volatile and tends to be moderately persistent in soil systems. It has a low potential for leaching to groundwater. It has a moderate mammalian oral toxicity and may be an irritant. Biodiversity toxicity tends to be low to moderate.
UsesFuralaxyl is used for the control of soil-borne diseases caused by Phytophthora and Pythium species and other Oomycetes on ornamentals.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate is an alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate It is an alanine derivative, an aromatic amide, a carboxamide, a member of furans and a methyl ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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