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5843-42-5

5843-42-5 Structure

5843-42-5 Structure
IdentificationBack Directory
[Name]

METHYL ISOCYANATOFORMATE
[CAS]

5843-42-5
[Synonyms]

1-isocyanatoethanone
Carbomethoxyisocyanate
METHYL ISOCYANATOFORMATE
methyl carbonisocyanatidoate
Carbonisocyanatidic acid, methyl ester
[Molecular Formula]

C3H3NO3
[MDL Number]

MFCD00037079
[MOL File]

5843-42-5.mol
[Molecular Weight]

101.06
Chemical PropertiesBack Directory
[Boiling point ]

97 °C (lit.)
[density ]

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

n20/D 1.413(lit.)
[Fp ]

87 °F
[storage temp. ]

-20°C
[InChI]

1S/C3H3NO3/c1-7-3(6)4-2-5/h1H3
[InChIKey]

YOVQDZPAVARTTR-UHFFFAOYSA-N
[SMILES]

COC(=O)N=C=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

10-20/21/22-36/37/38-42
[Safety Statements ]

16-26-36/37
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

Methoxycarbonyl isocyanate can be used for compound synthesis[1].
[General Description]

Methyl isocyanatoformate, also known as methyl carbonisocyanatidate, is an organic building block containing an isocyanate group.
[References]

[1] Komuro K, et al. Efficient Preparation of Cyclic α-Alkylidene β-Oxo Imides by Using a Flow Microreactor System. Synlett, 2018, 29(15): 1989-1994.
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