Methylcyanformiat

Carbonocyanidic acid, methyl ester

HCID 28660CAS 17640-15-2

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Grundinformationen

Standard-SMILES: COC(=O)C#N
InChIKey: OBWFJXLKRAFEDI-UHFFFAOYSA-N
Summenformel: C3H3NO2
Durchschnittliche Molmasse: 85,06 g/mol
Monoisotopische Masse: 85,01637834

Namen und Bezeichner

Bevorzugter Name: Carbonocyanidic acid, methyl ester
IUPAC: methyl cyanoformate
Lokaler Name: Methylcyanformiat
Englischer Name: Methyl cyanoformate
Summenformel: C3H3NO2
Molmasse: 85.06

Namen und Synonyme

Methyl cyanoformate17640-15-2Carbonocyanidic acid, methyl esterCyanoformate methyl esterCyklon A [Czech]Cyklon AFORMIC ACID, CYANO-, METHYL ESTEREINECS 241-626-6BRN 1742994Methylester kyseliny kyanmravenci [Czech]Methylester kyseliny kyanmravenciDTXSID1066235

Weitere Namen anzeigen

cyklonaCH3OC(O)CNMethylcyanomethanoatecyanoformatemethylesterCyanoformic acid methylMethyl cyanoforMate 99%

3-02-00-01587 (Beilstein Handbook Reference)RefChem:574555DTXCID0035615241-626-6methyl carbonocyanidate7S9M7F9JLTmethane, [(cyanocarbonyl)oxy]-2-methoxy-2-oxoacetonitrile

Datenbank-Bezeichner

CAS: 17640-15-2
PubChem CID: 28660
DTXSID: DTXSID1066235
UNII: 7S9M7F9JLT
EC Number: 241-626-6
Nikkaji: J47.920I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 50,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 98,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-186 °C
Siedepunkt: 100 · 100-101 °C (lit.)
Dichte: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.374(lit.)
Flammpunkt: 79 °F · 79 °F
Aggregatzustand: liquid
BRN: 1742994 · 1742994
InChI: 1S/C3H3NO2/c1-6-3(5)2-4/h1H3
InChIKey: OBWFJXLKRAFEDI-UHFFFAOYSA-N
SMILES: COC(=O)C#N
EPA chemische Informationen: Carbonocyanidic acid, methyl ester (17640-15-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationCarbonocyanidic acid, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

Sicherheitsdaten

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3275 6.1/PG 2
RTECS-Nr.: LQ7525000
risk_code: 10-26/27/28-36/38-36/37/38
hazard_code: T+
safety_code: 26-28-36/37-45
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCarbonocyanidic acid, methyl ester: INACTIVE

Anwendungen · 2 Einträge

BeschreibungMethyl cyanoformate is the organic compound with the formula CH3OC(O)CN. It is used as a reagent in organic synthesis as a source of the methoxy carbonyl group , in which context it is also known as Mander's reagent. It was also the active ingredient in the pesticide product Zyklon A.

VerwendenOrganic synthesis.