2,2,2-Trifluoroacetophenone

HCID 9905CAS 434-45-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)C(F)(F)F
InChIKey
KZJRKRQSDZGHEC-UHFFFAOYSA-N
Molecular formula
C8H5F3O
Average molar mass
174.12 g/mol
Monoisotopic mass
174.02924944

Overview

converted to trifluoroacetic acid in water

Names & identifiers

Preferred name
2,2,2-Trifluoroacetophenone
IUPAC
2,2,2-trifluoro-1-phenylethanone
English name
Trifluoroacetophenone
Molecular formula
C8H5F3O
Molecular weight
174.12

Names & synonyms

2,2,2-TRIFLUOROACETOPHENONE434-45-72,2,2-Trifluoro-1-phenylethanoneTrifluoromethyl phenyl ketonealpha,alpha,alpha-TrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-phenyl-Phenyl trifluoromethyl ketone1,1,1-Trifluoroacetophenone(Trifluoroacetyl)benzeneAcetophenone, 2,2,2-trifluoro-NSC 427526T7L1UPY09
Show more names
2,2,2-TRIFLUORO-1-PHENYLETHAN-1-ONEA,A,A-TRIFLUOROACETOPHENONETRIFLUOROACETOPHENONETRIFLUOROACETYLBENZENE2,2,2-Trifluoracetophenon
phenyltrifluoromethylketoneEINECS 207-103-1NSC-42752DTXSID6059992.alpha.,.alpha.,.alpha.-Trifluoroacetophenone.omega.,.omega.,.omega.-Trifluoroacetophenone2,2,2-TRIFLUORO-1-PHENYL-1-ETHANONEomega,omega,omega-Trifluoroacetophenone

Database identifiers

CAS
434-45-7
PubChem CID
9905
DTXSID
DTXSID6059992
ChEMBL
CHEMBL293277
UNII
6T7L1UPY09
EC Number
207-103-1
Nikkaji
J150.547E

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Tear Gas Agents
SpringerMaterials PropertiesBoiling point
LogP2.15
Vapor Pressure1.22 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-40 °C · -40 °C
Boiling point
165 · 165-166 °C (lit.) 46-48 °C/14 mmHg (lit.)
Density
1.24 g/mL · 1.24 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.458(lit.)
Flash point
107 °F · 107 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): 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 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2,2,2-Trifluoroacetophenone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant and lachrymator; [Alfa Aesar MSDS] See alpha-Chloroacetophenone.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
hs_code
29147090
risk_code
10-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-phenyl-: ACTIVE
Applications · 2 items

Uses2,2,2-Trifluoroacetophenone is a fluorinated acetophenone with inhibitory activity of acetylcholinesterase. 2,2,2-Trifluoroacetophenone was shown to have neuroprotective activity by inhibiting apoptosis in cerebellar granule neurons.

General Description2,2,2-Trifluoroacetophenone is the starting material for the synthesis of f 3-trifluoromethyl-3-phenyldiazirine. It undergoes asymmetric reduction with optically active Grignard reagent to form 2,2,2-trifluoro-1-phenylethanol. It undergoes condensation with biphenyl, terphenyl, a mixture of biphenyl with terphenyl, phenyl ether and diphenoxybenzophenone to form new aromatic 3F polymers.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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Linked notes

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