Methoxyacetonitril

Methoxyacetonitrile

HCID 74442CAS 1738-36-9

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Grundinformationen

Standard-SMILES: COCC#N
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
Summenformel: C3H5NO
Durchschnittliche Molmasse: 71,08 g/mol
Monoisotopische Masse: 71,03711378

Überblick

Methoxyacetonitrile is an aliphatic nitrile that is acetonitrile in which one of the methyl hydrogens is substituted by a methoxy group. It has a role as a polar solvent. It is an ether and an aliphatic nitrile.

Namen und Bezeichner

Bevorzugter Name: Methoxyacetonitrile
IUPAC: 2-methoxyacetonitrile
Lokaler Name: Methoxyacetonitril
Englischer Name: Methoxyacetonitrile
Summenformel: C3H5NO
Molmasse: 71.08

Namen und Synonyme

Methoxyacetonitrile1738-36-9Acetonitrile, methoxy-Acetonitrile, 2-methoxy-NCCH2OCH3EINECS 217-092-5NSC 26905DTXSID2061937RefChem:157060DTXCID9035549217-092-5InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H

Weitere Namen anzeigen

methoxy-acetonitrilMethoxy acetonitirleAcetonitrile,methoxy-2-methoxyethanenitrileMethoxyacetonitrile>Acetonitrile, methoxy-

QKPVEISEHYYHRH-UHFFFAOYSA-N2-methoxyacetonitrileMFCD00001892methoxyethanenitrileNSC26905methoxymethyl cyanide2-methoxy acetonitrile2-methoxy-acetonitrile

Datenbank-Bezeichner

CAS: 1738-36-9
PubChem CID: 74442
DTXSID: DTXSID2061937
ChEBI: CHEBI:234492
EC Number: 217-092-5
Nikkaji: J148.020K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 33 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 51,2

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesMolecular structure

Physikochemische Eigenschaften

Schmelzpunkt: 97 °C · 97 °C
Siedepunkt: 118 · 118-119 °C/731 mmHg (lit.)
Dichte: 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.381(lit.)
Flammpunkt: 89 °F · 89 °F
storage temp.: 2 · 2-8°C
Wasserlöslichkeit: Insoluble in water
Löslichkeit: soluble in Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
BRN: 1738014 · 1738014
InChI: 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
SMILES: COCC#N
CAS Datenbank: 1738 · 1738-36-9(CAS DataBase Reference)
NIST chemische Informationen: Methoxyacetonitrile(1738-36-9)
EPA chemische Informationen: Acetonitrile, methoxy- (1738-36-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationMethoxyacetonitrile: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29269090
risk_code: 10-20/21/22
hazard_code: Xn,Xi
safety_code: 14-36/37
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3