CAS 1979-36-8 1-(2,5-Difluorophenyl)ethan-1-one (HCID 74794)

Names & identifiers

Preferred name: 1-(2,5-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,5-difluorophenyl)ethanone
English name: 2',5'-Difluoroacetophenone
Molecular formula: C8H6F2O
Molecular weight: 156.13

Names & synonyms

1979-36-81-(2,5-Difluorophenyl)ethanone1-(2,5-Difluorophenyl)ethan-1-oneEINECS 217-837-4HLAFIZUVVWJAKL-UHFFFAOYSA-DTXSID30173498RefChem:420576DTXCID3095989217-837-4InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H32',5'-Difluoroacetophenone2,5-Difluoroacetophenone

Show more names

TIMTEC-BB SBB0065732',5'-Difluoroacetophenone>2',5'-Difluoroacetophenone98%2',5'-Difluoroacetophenone 98%Methyl(2,5-difluorophenyl) ketone

Ethanone, 1-(2,5-difluorophenyl)-MFCD000098981-acetyl-2,5-difluorobenzene1-(2,5-Difluorophenyl)ethanone #CS-W010921PS-8846D26071-(2,5-Difluorophenyl)ethanone; 1-(2,5-Difluorophenyl)ethanone; 2,5-Difluorophenyl Methyl Ketone

Database identifiers

CAS: 1979-36-8
PubChem CID: 74794
DTXSID: DTXSID30173498
EC Number: 217-837-4
Nikkaji: J199.796C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Boiling point: 78 · 78-80°C 12mm
Density: 1.233 g/mL · 1.233 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4882(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Oil
color: Clear Yellow
Specific Gravity: 1.233 · 1.233
BRN: 2963573 · 2963573
InChI: 1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1F
CAS DataBase Reference: 1979 · 1979-36-8(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2',5'-Difluoroacetophenone(1979-36-8)
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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 10 · 10 - Combustible liquids
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 47 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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2′,5′-Difluoroacetophenone has been used in the preparation of 2,5-difluorostyrene.

Uses2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects.