Basic information
- CAS
1190865-44-1- Standard SMILES
O=C(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F- InChIKey
NSWPERXXSPCRCT-UHFFFAOYSA-N- Molecular formula
- C8H2Cl2F4O
- Average molar mass
- 261 g/mol
- Monoisotopic mass
- 259.94188292
Names & identifiers
- Preferred name
- 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
- IUPAC
- 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
- English name
- 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
- Molecular formula
- C8H2Cl2F4O
- Molecular weight
- 261.0004928
Names & synonyms
1190865-44-11-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-oneDTXSID101204874RefChem:422887DTXCID101636293829-719-5939-298-03',5'-Dichloro-2,2,2,4'-tetrafluoroacetophenone1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanoneMFCD233825071-(3,5-dichloro-4-fluoro-phenyl)-2,2,2-trifluoro-ethanone
Show more names
Sealed in dry,Room Temperature2,2,2-Trifluoro-3',5'-dichloro-4'-fluoroacetophenone1-(3,5-Dichloro-4-fluoropheny)-2,2,2-trifluoroethanone1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one (Sarolaner intermediate）1-(3,5-dichloroChemicalbook-4-fluorophenyl)-2,2,2-trifluoroethan-1-one(Sarolanerintermediate）1(3,5Dichloro4fluorophenyl)2,2,2trifluoroethanone,1 (3,5 Dichloro 4 fluorophenyl) 2,2,2 trifluoroethanone
Ethanone, 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoro-C8H2Cl2F4OSarolaner intermediateorb1297912orb1940156SCHEMBL12097462AKOS017344692DS-9995
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 282.5 · 282.5±40.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- vapor pressure
- 20 · 20-2750Pa at 20-37.8℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
- InChIKey
- NSWPERXXSPCRCT-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC(Cl)=C(F)C(Cl)=C1)C(F)(F)F
- LogP
- 2.57 · 2.57
- Surface tension
- 61.3 mN/m · 61.3mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P331, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 23-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32348
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone can be used as a pesticide intermediate, mainly in the synthesis of sarolaner.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海策嵘生物科技有限公司[email protected]
山东科研制药有限公司13053388919
济南诚汇双达生物有限公司053158897070 15550412551
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
山东雨禾医药科技有限公司15263077727
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Related reactions
5 records
Compound notes
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