1-(4-(Trifluoromethyl)phenyl)ethan-1-one

HCID 69731CAS 709-63-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(C(F)(F)F)cc1
InChIKey
HHAISVSEJFEWBZ-UHFFFAOYSA-N
Molecular formula
C9H7F3O
Average molar mass
188.15 g/mol
Monoisotopic mass
188.04489933

Names & identifiers

Preferred name
1-(4-(Trifluoromethyl)phenyl)ethan-1-one
IUPAC
1-[4-(trifluoromethyl)phenyl]ethanone
English name
4'-(Trifluoromethyl)acetophenone
Molecular formula
C9H7F3O
Molecular weight
188.15

Names & synonyms

1-[4-(Trifluoromethyl)phenyl]ethan-1-one1-(4-(Trifluoromethyl)phenyl)ethan-1-oneEINECS 211-913-0DTXSID80221130NSC 88346RefChem:424558DTXCID80143621211-913-0709-63-74'-(Trifluoromethyl)acetophenone1-(4-(trifluoromethyl)phenyl)ethanone1-[4-(Trifluoromethyl)phenyl]ethanone
Show more names
1-(4-Trifluoromethyl-phenyl)-ethanone4-Acetylbe4-ACETYLBENZOFLUORIDEOn the trifluoroMethyl4-(trifluromethyl)acetophenone4-TRIFLUOROMETHYL BENZYLDEHYDE
4-(Trifluoromethyl)acetophenone4-Acetylbenzotrifluoridep-TrifluoromethylacetophenoneMFCD00000401Ethanone, 1-[4-(trifluoromethyl)phenyl]-4-Trifluoromethylacetophenone4'-trifluoromethylacetophenoneTZ2PGR8637

Database identifiers

CAS
709-63-7
PubChem CID
69731
DTXSID
DTXSID80221130
UNII
TZ2PGR8637
EC Number
211-913-0
Nikkaji
J193.080J

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
30 · 30-33 °C(lit.)
Boiling point
79 · 79-80 °C8 mm Hg(lit.)
Density
0.92 · 0.92
refractive index
1.4604 · 1.4604
Flash point
184 °F · 184 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (93.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29147090
risk_code
36/37/38-11
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

UsesA labelled acetophenone with selective antimycobacterial activity.

General DescriptionThe enantioselective addition of dialkylzinc to 4′-(trifluoromethyl)acetophenone mediated by 1,2-bis(hydroxycamphorsulfonamido)cyclohexenes in the presence of titanium tetraisopropoxide has been investigated. Phosphorescence emission spectra of 4′-(trifluoromethyl)acetophenone has been studied using pulsed source phosphorimetry.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

75 records
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Linked notes

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