ChemicalBook--->CAS DataBase List--->17640-15-2

17640-15-2

17640-15-2 Structure

17640-15-2 Structure
IdentificationBack Directory
[Name]

METHYL CYANOFORMATE
[CAS]

17640-15-2
[Synonyms]

cyklona
Cyklon A
CH3OC(O)CN
METHYL CYANOFORMATE
Methylcyanomethanoate
Cyanoformic acid methyl
cyanoformatemethylester
Methyl carbonocyanidate
Methyl cyanoforMate 99%
Methyl cyanoformate ,98%
Cyanoformate methyl ester
cyano-formicacimethylester
Cyanoformicacid,methylester
2-Oxo-2-methoxyacetonitrile
Carbonocyanidic acid methyl
oxalicacidmethylester-nitrile
methylesterkyselinykyanmravenci
carbonocyanidicacid,methylester
Methylester kyseliny kyanmravenci
Carbonocyanidic acid, methyl ester
[EINECS(EC#)]

241-626-6
[Molecular Formula]

C3H3NO2
[MDL Number]

MFCD00013420
[MOL File]

17640-15-2.mol
[Molecular Weight]

85.06
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid; ethereal odor. Decomposedby alkalies and water. Soluble in alcohol, benzene,ether.
[Melting point ]

185-186 °C
[Boiling point ]

100-101 °C(lit.)
[density ]

1.072 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.374(lit.)
[Fp ]

79 °F
[form ]

liquid
[BRN ]

1742994
[InChI]

1S/C3H3NO2/c1-6-3(5)2-4/h1H3
[InChIKey]

OBWFJXLKRAFEDI-UHFFFAOYSA-N
[SMILES]

COC(=O)C#N
[Uses]

Organic synthesis.
[EPA Substance Registry System]

Carbonocyanidic acid, methyl ester (17640-15-2)
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; ethereal odor. Decomposedby alkalies and water. Soluble in alcohol, benzene,ether.
[Description]

Methyl 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.
[Purification Methods]

Purify the ester by fractionation through a 45cm glass helices packed column or a 30cm spinning band column. [Sheppard J Org Chem 27 3756 1962.] It has been distilled through a short Vigreux column (p 11), and further purified by recrystallisation from Et2O at -40o as white crystals which melt at room temperature. NMR:  4.0 ( C3), and IR: 2250 (CN) and 1750 (CO) cm-1 . [Childes & Weber JOrg Chem 41 3486 1976, Beilstein 2 III 1587.]
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

10-26/27/28-36/38-36/37/38
[Safety Statements ]

26-28-36/37-45
[RIDADR ]

UN 3275 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

LQ7525000
[F ]

10-19-21
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 1 Inhalation
Acute Tox. 2 Dermal
Acute Tox. 2 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl cyanoformate(17640-15-2)1HNMR
Methyl cyanoformate(17640-15-2)Raman
Methyl cyanoformate(17640-15-2)FT-IR
Methyl cyanoformate(17640-15-2)IR
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