Cyclopropyl 4-fluorophenyl ketone

HCID 69876

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Basic information

CAS: 772-31-6
Standard SMILES: O=C(c1ccc(F)cc1)C1CC1
InChIKey: MHKHJIJXMVHRAJ-UHFFFAOYSA-N
Molecular formula: C10H9FO
Average molar mass: 164.18 g/mol
Monoisotopic mass: 164.06374313

Names & identifiers

Preferred name: Cyclopropyl 4-fluorophenyl ketone
IUPAC: cyclopropyl-(4-fluorophenyl)methanone
English name: Cyclopropyl 4-fluorophenyl ketone
Molecular formula: C10H9FO
Molecular weight: 164.18

Names & synonyms

Cyclopropyl 4-fluorophenyl ketoneMethanone, cyclopropyl(4-fluorophenyl)-U8PH7N6MPJDTXSID50227947EINECS 212-247-3NSC-70847NSC 70847RefChem:581195DTXCID00150438212-247-3772-31-6cyclopropyl(4-fluorophenyl)methanone

Show more names

Cyclopropyl 4-fluoroLABOTEST-BB LT00440779Methanone, Cyclopropyl(4-Fl(4-Fluorobenzoyl)cyclopropane4-Fluorophenyl Cyclopropyl KetoneCyclopropyl4-fluorophenylketone99%(4-flurophenyl)cycloproylmethanoneCyclopropyl 4-fluorophenyl ketone 99%

cyclopropyl-(4-fluorophenyl)methanoneMFCD00013728Haloperidol Impurity 14Cyclopropyl(4-fluorophenyl)-methanonecyclopropyl 4-fluorophenylketonep-fluorophenyl cyclopropyl ketoneCyclopropyl p-fluorophenyl ketonecyclopropyl-(4-fluorophenyl)ketone

Database identifiers

CAS: 772-31-6
PubChem CID: 69876
DTXSID: DTXSID50227947
UNII: U8PH7N6MPJ
EC Number: 212-247-3
Nikkaji: J193.156C

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Experimental & physicochemical properties

LogP2.61

Physicochemical properties

Melting point: -15 °C · -15 °C
Boiling point: 119 · 119-120 °C13 mm Hg(lit.)
Density: 1.144 g/mL · 1.144 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 212 °F · 212 °F
storage temp.: Store at room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: liquid
color: yellowish
Specific Gravity: 1.144 · 1.1440
Water Solubility: Not miscible with water.
BRN: 2044844 · 2044844
LogP: 2.67 · 2.67
CAS DataBase Reference: 772 · 772-31-6(CAS DataBase Reference)
FDA UNII: 8 PH7N6MPJ · U8PH7N6MPJ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2914790090 · 2914790090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.