CAS 350-92-5 1,1,1-Trifluoro-3-phenyl-2-propanone (HCID 222958)

Names & identifiers

Preferred name: 1,1,1-Trifluoro-3-phenyl-2-propanone
IUPAC: 1,1,1-trifluoro-3-phenylpropan-2-one
English name: 3-Phenyl-1,1,1-trifluoropropan-2-one
Molecular formula: C9H7F3O
Molecular weight: 188.15

Names & synonyms

350-92-51,1,1-Trifluoro-3-phenyl-2-propanoneRefChem:409467626-575-33-Phenyl-1,1,1-Trifluoropropan-2-One1,1,1-trifluoro-3-phenylpropan-2-one1,1,1-trifluoro-3-phenylacetoneMFCD000681713-Phenyl-1,1,1-trifluoroacetone1,1,1-Trifluoro-3-phenyl-propan-2-oneNSC10062CHEMBL292454

Show more names

BUTTPARK 37\08-78Benzyl trifluoromethyl ketone~11,1,1-Trifluoro-3-phenylacetone, tech

BDBM50163153NSC-10062PS-11505SY0622501,1,1-Trifluoro-3-phenyl-2-propanone, 96%benzyl trifluoromethyl ketone2-Propanone, 1,1,1-trifluoro-3-phenyl-AM20040255

Database identifiers

CAS: 350-92-5
PubChem CID: 222958
DTXSID: DTXSID40278786
ChEMBL: CHEMBL292454
EC Number: 626-575-3
Nikkaji: J619.105C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 51 · 51-52 °C2 mm Hg(lit.)
Density: 1.22 g/mL · 1.22 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.444(lit.)
Flash point: 91 °F · 91 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Clear, faint yellow
BRN: 2614467 · 2614467
InChI: 1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: IAJKTOIWQHTZOS-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)Cc1ccccc1
CAS DataBase Reference: 350 · 350-92-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1224 · UN 1224 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (91.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1224 3/PG 3
hs_code: 29147000
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi,F
hazard_note: Flammable/Irritant
safety_code: 16
hazard_class: IRRITANT
Storage Class: 3 - Flammable liquids
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Applications

Uses1,1,1-Trifluoro-3-phenyl-2-propanone is a trifluoromethyl ketone. Its in vitro neuroprotective potency against low K(+)-induced apoptosis in cerebellar granule neurons (CGNs) by different pathways has been reported.

General Description1,1,1-Trifluoro-3-phenyl-2-propanone is a trifluoromethyl ketone. Its in vitro neuroprotective potency against low K(+)-induced apoptosis in cerebellar granule neurons (CGNs) by different pathways has been reported.