p-Trifluoromethylpropiophenone (HCID 136554)

Names & identifiers

Preferred name: p-Trifluoromethylpropiophenone
IUPAC: 1-[4-(trifluoromethyl)phenyl]propan-1-one
English name: 4'-(Trifluoromethyl)propiophenone
Molecular formula: C10H9F3O
Molecular weight: 202.17

Names & synonyms

711-33-11-(4-(Trifluoromethyl)phenyl)propan-1-one1-[4-(trifluoromethyl)phenyl]propan-1-onep-TrifluoromethylpropiophenoneDTXSID40221318RefChem:858259DTXCID40143809626-720-04'-(Trifluoromethyl)propiophenone4-(Trifluoromethyl)propiophenone4-TrifluoromethylpropiophenoneMFCD00039231

Show more names

4'-(Trifluoromethyl)propiophenone 97%4'-(Trifluoromethyl)propiophenone,97%Ethyl 4-(trifluoromethyl)phenyl ketonep-Trifluoromethylpropiophenone, min. 97%

1-[4-(trifluoromethyl)phenyl]-1-propanone1-Propanone, 1-[4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethy1-(4-trifluoromethyl-phenyl)-propan-1-oneghl.PD_Mitscher_leg0.340SCHEMBL478183SCHEMBL2095082SCHEMBL7228800

Database identifiers

CAS: 711-33-1
PubChem CID: 136554
DTXSID: DTXSID40221318
EC Number: 626-720-0
Nikkaji: J1.599.891A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 202

Physicochemical properties

Melting point: 36 · 36-39 °C(lit.)
Boiling point: 216 °C · 216 °C(lit.)
Density: 1 · 1,973 g/cm3
Flash point: 210 °F · 210 °F
storage temp.: Inert atmosphere,Room Temperature
form: fused solid
color: White/colourless
BRN: 1874014 · 1874014
InChI: 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey: QFKOWENRSZZLPK-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccc(cc1)C(F)(F)F
CAS DataBase Reference: 711 · 711-33-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.

Upstream & downstream products

Upstream raw materials

Phenyl 4-(trifluoromethyl)benzoate Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-Benzene, 1-(1E)-1-propen-1-yl-4-(trifluoromethyl)-Lithium, [4-(trifluoromethyl)phenyl]-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-ol alpha,alpha,alpha-Trifluoro-o-toluoyl chloride 1-[4-(Trifluoromethyl)phenyl]propan-1-ol 4'-(Trifluoromethyl)acetophenone 1-(4-(trifluoroMethyl)phenyl)propan-2-one N-Methoxy-N-methyl-propionamide 2-Bromobenzotrifluoride Bromoethane

Downstream products

2-Methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

12 records

New reaction record

HRID 241450As reactantuspto-grants-2014_02

HRID 241451As reactantuspto-grants-2014_02

HRID 245239As reactantuspto-grants-2014_02

HRID 345498As reactantuspto-grants-1991_10

HRID 526700As reactantuspto-grants-2016_05

HRID 526709As reactantuspto-grants-2016_05

HRID 607535As reactantuspto-grants-2011_03

HRID 889712As reactantuspto-grants-2012_08

Linked notes

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Basic information