(+-)-Acetofenate
Basic information
- CAS
21757-82-4- Standard SMILES
CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl- InChIKey
FSGNOVKGEXRRHD-UHFFFAOYSA-N- Molecular formula
- C10H7Cl5O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 333.888868
Names & identifiers
- Preferred name
- (+-)-Acetofenate
- IUPAC
- [2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate
- English name
- PLIFENATE
- Molecular formula
- C10H7Cl5O2
- Molecular weight
- 336.43
Names & synonyms
21757-82-4PenfenateT5WLD846CMEthanol, 1-(3,4-dichlorophenyl)-2,2,2-trichloro-, acetateBenzenemethanol, 3,4-dichloro-alpha-(trichloromethyl)-, acetateBenzyl alcohol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate(+-)-AcetofenateRefChem:859403244-573-7PlifenatePlifenatAcetofenate
Show more names
mb6046Ai3-29252baymeb6046ActofenateBENZETHAZET
Baygon MEB2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethyl acetateBAY meb 6046MEB-6046[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetateMB 60463,4-Dichloro-alpha-(trichloromethyl)benzyl acetate2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethanol acetate
Database identifiers
- CAS
21757-82-4- PubChem CID
- 89040
- DTXSID
DTXSID20865012- UNII
- T5WLD846CM
- EC Number
- 244-573-7
- Nikkaji
- J13.822C、J14.684F、J14.685D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
LogP4.92
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 452.62 °C · 452.62°C (rough estimate)
- Density
- 1.6161 · 1.6161 (rough estimate)
- refractive index
- 1.555 · 1.5550 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- Henry's Law Constant
- 1.1 · 1.1×104 mol/(m3Pa) at 25℃, MacBean (2012)
- FDA UNII
- 5 WLD846CM · T5WLD846CM
- EPA Substance Registry System
- 3 · Benzenemethanol, 3,4-dichloro-.alpha.-(trichloromethyl)-, acetate (21757-82-4)
- Hazard statements
- 413 · H413
- RTECS
- 5000000 · KK5000000
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- rtecs
- KK5000000
- hs_code
- 29153900
- Toxicity
- LD50 orl-rat: 10,000 mg/kg 85AREA 1,96,77
- Hazard statements
- H413
Chemistry & industry
Applications
UsesPlifenat is a widely used pesticide. Also, it is analog of DDT, one of the organochlorine pesticides, widely used in agricultural and mosquito sprayings.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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