Flamprop-isopropyl
Basic information
- CAS
52756-22-6- Standard SMILES
CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1- InChIKey
IKVXBIIHQGXQRQ-UHFFFAOYSA-N- Molecular formula
- C19H19ClFNO3
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.1037493
Overview
structure
Names & identifiers
- Preferred name
- Flamprop-isopropyl
- IUPAC
- propan-2-yl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
- English name
- FLAMPROP-ISOPROPYL
- Molecular formula
- C19H19ClFNO3
- Molecular weight
- 363.81
Names & synonyms
FLAMPROP-ISOPROPYL52756-22-6BarnonSuffix BWFlufenprop-isopropylDTXSID6041977DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester54ZX2H5250DTXCID4021977EF-5702WL-29762Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-2-aminopropionate
Show more names
Gunnerwl29762CommandoPower flamePower flampropFlamprop-isopr
RefChem:140582258-154-1Flamprop-isopropyl [ISO]Flamprop isopropylWL 29762propan-2-yl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoateAlanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl esterBRN 2899801
Database identifiers
- CAS
52756-22-6- PubChem CID
- 40520
- DTXSID
DTXSID6041977- ChEMBL
CHEMBL3185461- UNII
- 54ZX2H5250
- EC Number
- 258-154-1
- Nikkaji
- J10.174E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Collision Cross Section182.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6041977]
Physicochemical properties
- Melting point
- 56.5 °C · 56.5°C
- Boiling point
- 476.4 · 476.4±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- Flash point
- 100 °C · >100 °C
- pka
- -1.02 · -1.02±0.50(Predicted)
- Water Solubility
- 18 mg/L · 18mg/L(20 ºC)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m0/s1
- InChIKey
- IKVXBIIHQGXQRQ-ZDUSSCGKSA-N
- SMILES
- CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2
- EWG's Food Scores
- 1 · 1
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
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- AY3274700
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Applications
UsesFlamprop-isopropyl acts as a pesticide.
Suppliers
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Related reactions
0 records
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Compound notes
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