Cyclopropylphenylketon

Cyclopropyl phenyl ketone

HCID 77029CAS 3481-02-5

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)C1CC1
InChIKey: PJRHFTYXYCVOSJ-UHFFFAOYSA-N
Summenformel: C10H10O
Durchschnittliche Molmasse: 146,19 g/mol
Monoisotopische Masse: 146,07316494

Namen und Bezeichner

Bevorzugter Name: Cyclopropyl phenyl ketone
IUPAC: cyclopropyl(phenyl)methanone
Lokaler Name: Cyclopropylphenylketon
Englischer Name: Cyclopropyl phenyl ketone
Summenformel: C10H10O
Molmasse: 146.19

Namen und Synonyme

Cyclopropyl phenyl ketonecyclopropyl(phenyl)methanone3481-02-5Phenyl cyclopropyl ketoneBenzoylcyclopropaneMethanone, cyclopropylphenyl-Ketone, cyclopropyl phenylCyclopropylphenylmethanoneHZE54S9VGFNSC-10743DTXSID30188345EINECS 222-458-2

Weitere Namen anzeigen

Cyclopropyl phenyl kCyclopropylphenylketone,97%Methanone,cyclopropylphenyl-Cyclopropyl phenyl ketone 98%

NSC 10743RefChem:581201DTXCID60110836222-458-2MFCD00001294cyclopropyl-phenyl-methanonecyclopropyl-phenylmethanonePJRHFTYXYCVOSJ-UHFFFAOYSA-

Datenbank-Bezeichner

CAS: 3481-02-5
PubChem CID: 77029
DTXSID: DTXSID30188345
UNII: HZE54S9VGF
EC Number: 222-458-2
Nikkaji: J140.837B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 152

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesChemical shift

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 7 · 7-9 °C(lit.)
Siedepunkt: 121 · 121-123 °C15 mm Hg(lit.)
Dichte: 1.058 g/mL · 1.058 g/mL at 25 °C(lit.)
Dampfdichte: 5 · 5 (vs air)
Brechungsindex: 20 · n20/D 1.553(lit.)
Flammpunkt: 195 °F · 195 °F
storage temp.: 2 · Sealed in dry,2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1860145 · 1860145
InChI: 1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: PJRHFTYXYCVOSJ-UHFFFAOYSA-N
SMILES: O=C(C1CC1)c2ccccc2
CAS Datenbank: 3481 · 3481-02-5(CAS DataBase Reference)
NIST chemische Informationen: Cyclopropyl phenyl ketone(3481-02-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationMethanone, cyclopropylphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2914390090
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclopropyl phenyl ketone is used to prepare α-cyclopropylstyrene by the Wittig reaction in dimethyl sulfoxide. It is also used as starting reagent during the (Z)-titanium enolate formation from cyclopropyl ketones via TiCl4-n-Bu4NI-induced ring opening reaction.