CAS 85068-30-0 2',4'-Difluoropropiophenone (HCID 123586)

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Basic information

CAS: 85068-30-0
Standard SMILES: CCC(=O)c1ccc(F)cc1F
InChIKey: UZWOADNMVRRYDE-UHFFFAOYSA-N
Molecular formula: C9H8F2O
Average molar mass: 170.16 g/mol
Monoisotopic mass: 170.05432132

Names & identifiers

Preferred name: 2',4'-Difluoropropiophenone
IUPAC: 1-(2,4-difluorophenyl)propan-1-one
English name: 2',4'-Difluoropropiophenone
Molecular formula: C9H8F2O
Molecular weight: 170.16

Names & synonyms

85068-30-02',4'-Difluoropropiophenone1-(2,4-DIFLUOROPHENYL)-1-PROPANONEEINECS 285-291-4DTXSID30234134RefChem:439420DTXCID30156625285-291-41-(2,4-difluorophenyl)propan-1-one2,4-DifluoropropiophenoneMFCD000155071-Propanone, 1-(2,4-difluorophenyl)-

Show more names

2,4-Difluoro acetone2',4'-Difluoropropio2,4-DEFLUOROPROPIOPHENONE2',4'-Difluoropropiophenone>2',4'-Difluoropropiophenone97%2',4'-Difluoropropiophenone,98%2',4'-Difluoropropiophenone 97%

SCHEMBL196379AKOS000159012AC-12244SY048395D2598EN300-49147Z285136992FT-0610111

Database identifiers

CAS: 85068-30-0
PubChem CID: 123586
DTXSID: DTXSID30234134
EC Number: 285-291-4
Nikkaji: J309.647E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 51 · 51-52 °C (1.5 mmHg)
Density: 1.193 g/mL · 1.193 g/mL at 25 °C(lit.)
refractive index: 1.4835 · 1.4835-1.4855
Flash point: 76 °C · 76 °C
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.193 · 1.193
color: Clear colorless to light yellow
Water Solubility: Insoluble
BRN: 7633370 · 7633370
CAS DataBase Reference: 85068 · 85068-30-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

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 2 reports by companies from 2 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

hs_code: 29147000
risk_code: 36/37/38-36/37
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
hazard_note: Toxic
safety_code: 37/39-26-36-36/37-36/37/39
hazard_class: IRRITANT
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501