Methyl isocyanatoformate

1-isocyanatoethanone · Carbomethoxyisocyanate · Methyl isocyanatoformate · methyl carbonisocyanatidoate · Carbonisocyanatidic acid, methyl ester

Identifikatoren & physikalische Daten

CAS No.	5843-42-5
Summenformel	C3H3NO3
Durchschnittliche Molmasse	101,06 g/mol
Monoisotopische Masse	101,01129296 g/mol
SMILES	COC(=O)N=C=O
InChIKey	YOVQDZPAVARTTR-UHFFFAOYSA-N
PubChem CID	4156749
EC No.	624-213-9
DTXSID	DTXSID00400041

XLogP	1,3
Polarare Oberfläche (TPSA)	55,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	7
Formalladung	0
Komplexität	113
Siedepunkt	97 °C (lit.)
Dichte	1.251 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.413(lit.)
Flammpunkt	87 °F
Lagerbedingungen	-20°C
InChI	1S/C3H3NO3/c1-7-3(6)4-2-5/h1H3
InChIKey	YOVQDZPAVARTTR-UHFFFAOYSA-N
SMILES	COC(=O)N=C=O

GHS-Einstufung	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 1993 3/PG 3
R-Sätze (R)	10-20/21/22-36/37/38-42
Gefahrensymbole	Xn
Sicherheitshinweise (S)	16-26-36/37
Lagerklasse	3 - Flammable liquids
Gefahrenklasse	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

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HCID 4156749Erstellt: 3. November 2026

1-isocyanatoethanone · Carbomethoxyisocyanate · Methyl isocyanatoformate · methyl carbonisocyanatidoate · Carbonisocyanatidic acid, methyl ester

CAS No.	5843-42-5
Summenformel	C3H3NO3
Durchschnittliche Molmasse	101,06 g/mol
Monoisotopische Masse	101,01129296 g/mol
SMILES	COC(=O)N=C=O
InChIKey	YOVQDZPAVARTTR-UHFFFAOYSA-N
PubChem CID	4156749
EC No.	624-213-9
DTXSID	DTXSID00400041

XLogP	1,3
Polarare Oberfläche (TPSA)	55,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	7
Formalladung	0
Komplexität	113
Siedepunkt	97 °C (lit.)
Dichte	1.251 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.413(lit.)
Flammpunkt	87 °F
Lagerbedingungen	-20°C
InChI	1S/C3H3NO3/c1-7-3(6)4-2-5/h1H3
InChIKey	YOVQDZPAVARTTR-UHFFFAOYSA-N
SMILES	COC(=O)N=C=O

GHS-Einstufung	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 1993 3/PG 3
R-Sätze (R)	10-20/21/22-36/37/38-42
Gefahrensymbole	Xn
Sicherheitshinweise (S)	16-26-36/37
Lagerklasse	3 - Flammable liquids
Gefahrenklasse	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3