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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 119708Generated: October 26, 2026

Isocyanatocarbonyl chloride

Carbonisocyanatidic Chloride · Chlorocarbonylisocyanate · (Chloroformyl) isocyanate · isocyanatocarbonyl chloride · N-CHLOROCARBONYL ISOCYANATE · VBBUFMFZDHLELS-UHFFFAOYSA-N · Carbonic chloride isocyanate · Isocyanatoformic acid chloride

https://huagongshe.com/en/chemical/119708

Isocyanatocarbonyl chloride molecular structure

Identifiers & Physical Properties

CAS No.27738-96-1
Molecular formulaC2ClNO2
Average molar mass105.48 g/mol
Monoisotopic mass104.96175592 g/mol
SMILESO=C=NC(=O)Cl
InChIKeyVBBUFMFZDHLELS-UHFFFAOYSA-N
PubChem CID119708
EC No.248-631-2
DTXSIDDTXSID50182087

Chemical & Physical Properties

XLogP2
Topological polar surface area46.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms6
Formal charge0
Complexity104
SpringerMaterials PropertiesSchoenflies notation
Melting point64℃
Boiling point63 °C(lit.)
Density1.31 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.432(lit.)
Flash point>230 °F
GHS pictogramGHS08,GHS07,GHS05
Signal wordDanger
GHS hazard statementsH317-H314-H332-H302-H312-H334
GHS precautionary statementsP261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P285-P304+P341-P342+P311-P501
Hazard symbolsC
Risk statements (R)20/21/22-34-42/43
Safety statements (S)26-27-28-36/37/39-45
UN transport numberUN 2922 8/PG 2
Water hazard class (WGK)3
F10-21
Hazard class6.1(b)
Packing groupIII

Safety & Regulations

GHS classificationDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
F10-21
Water hazard class (WGK)3
UN transport numberUN 2922 8/PG 2
Risk statements (R)20/21/22-34-42/43
Signal wordDanger
GHS pictogramGHS08,GHS07,GHS05
Hazard symbolsC
Safety statements (S)26-27-28-36/37/39-45
Hazard class6.1(b)
Packing groupIII
GHS hazard statementsH317-H314-H332-H302-H312-H334
GHS precautionary statementsP261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P285-P304+P341-P342+P311-P501