Cyclopropylacetonitrile

HCID 643447CAS 6542-60-5

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Grundinformationen

Standard-SMILES: N#CCC1CC1
InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
Summenformel: C5H7N
Durchschnittliche Molmasse: 81,12 g/mol
Monoisotopische Masse: 81,05784922

Namen und Bezeichner

Bevorzugter Name: Cyclopropylacetonitrile
IUPAC: 2-cyclopropylacetonitrile
Englischer Name: Cyclopropylacetonitrile
Summenformel: C5H7N
Molmasse: 81.12

Namen und Synonyme

cyclopropylacetonitrile6542-60-5cyclopropaneacetonitrileDTXSID20349180RefChem:129952DTXCID80300252FAUQRRGKJKMEIW-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2-cyclopropylacetonitrile2-cyclopropylethanenitrileMFCD00041523cyclopropyl acetonitrile

Weitere Namen anzeigen

DFF2CPANDFF40DFF-40)CyclopropylacetonitrilCyclopropylacetonitrile (CPA)

(cyanomethyl)cyclopropaneAKOS005207232EN300-76167AS06097AM20100595FT-0636177FT-06863932-Cyclopropylacetonitrile;

Datenbank-Bezeichner

CAS: 6542-60-5
PubChem CID: 643447
DTXSID: DTXSID20349180
EC Number: 628-930-8
Nikkaji: J609.638G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 83,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Siedepunkt: 142 · 142-144 °C(lit.)
Dichte: 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4235(lit.)
Flammpunkt: 111 °F · 111 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Miscible with water, methylene chloride and alcohols.
BRN: 2036964 · 2036964
InChI: InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
SMILES: C1(CC#N)CC1
CAS Datenbank: 6542 · 6542-60-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P302+P352, P303+P361+P353, P316, P318, P321, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29269090
risk_code: 10-68-23/24/25
hazard_code: T
safety_code: 26-36/37/39-45-36/37-23
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclopropylacetonitrile is used in the preparation of cyclopropyl-2 acetophenone and cyclopropylacetyl chloride. It acts as an organic intermediate in organic synthesis. It is also employed in the preparation of agrochemicals, pharmaceuticals and dyestuff fields.