CAS 123577-99-1 3',5'-Difluoroacetophenone (HCID 518596)

Names & identifiers

Preferred name: 3',5'-Difluoroacetophenone
IUPAC: 1-(3,5-difluorophenyl)ethanone
English name: 3',5'-Difluoroacetophenone
Molecular formula: C8H6F2O
Molecular weight: 156.13

Names & synonyms

3',5'-Difluoroacetophenone123577-99-1DTXSID90333793RefChem:484555DTXCID00284883626-379-81-(3,5-Difluorophenyl)ethanone3,5-Difluoroacetophenone1-(3,5-Difluorophenyl)Ethan-1-OneEthanone, 1-(3,5-difluorophenyl)-MFCD000424891-acetyl-3,5-difluorobenzene

Show more names

CAS:123577-99-13', 5' -difluorophenone3',5'-Difluoroacetophenone>3',5'-Difluoroacetophenone98%3′,5′-Difluoroacetophenone,97%3',5'-Difluoroacetophenone 98%

3,5-di-fluoroacetophenone3,5-difluoro acetophenoneSCHEMBL3191233\',5\'-DifluoroacetophenoneSCHEMBL2093012SCHEMBL170234451-(3,5-difluoro-phenyl)-ethanone3',5'-Difluoroacetophenone, 97%

Database identifiers

CAS: 123577-99-1
PubChem CID: 518596
DTXSID: DTXSID90333793
EC Number: 626-379-8
Nikkaji: J1.682.862I

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: 148

Physicochemical properties

Melting point: 34 · 34-38 °C(lit.)
Boiling point: 94 °C · 94 °C
Density: 1.206 · 1.206±0.06 g/cm3(Predicted)
refractive index: 1.4876 · 1.4876
Flash point: 180 °F · 180 °F
storage temp.: Sealed in dry,Room Temperature
form: Low Melting Solid
color: White to slightly yellow
BRN: 6798740 · 6798740
InChI: InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChIKey: OXJLDNSPGPBDCP-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=CC(F)=C1)C
CAS DataBase Reference: 123577 · 123577-99-1(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,5-Difluoroacetophenone(123577-99-1)
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: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-R36/37/38-36-26
Safety Statements: 26 · 26-36-S36-S26-36/37/38
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 48 reports by companies from 7 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-R36/37/38-36-26
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-S36-S26-36/37/38
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-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:(E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand(±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine(E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione

General Description3′,5′-Difluoroacetophenone, also known as 1-(3,5-difluorophenyl)ethanone, is a fluorinated acetophenone.