Isocyanatocarbonyl chloride

HCID 119708

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 27738-96-1
Standard SMILES: O=C=NC(=O)Cl
InChIKey: VBBUFMFZDHLELS-UHFFFAOYSA-N
Molecular formula: C2ClNO2
Average molar mass: 105.48 g/mol
Monoisotopic mass: 104.96175592

Names & identifiers

Preferred name: Isocyanatocarbonyl chloride
IUPAC: N-(oxomethylidene)carbamoyl chloride
English name: N-CHLOROCARBONYL ISOCYANATE
Molecular formula: C2ClNO2
Molecular weight: 105.48

Names & synonyms

27738-96-1Isocyanatocarbonyl chloridecarbonisocyanatidic chlorideEINECS 248-631-2DTXSID50182087RefChem:791710DTXCID60104578248-631-2N-Chlorocarbonyl IsocyanateN-(Chlorocarbonyl)isocyanatechlorocarbonyl isocyanateN-(oxomethylidene)carbamoyl chloride

Show more names

Chlorocarbonylisocyanate(Chloroformyl) isocyanateVBBUFMFZDHLELS-UHFFFAOYSA-NCarbonic chloride isocyanateIsocyanatoformic acid chlorideN-(ketomethylene)carbamoyl chloride

chloroformyl isocyanateN-CHLOROCARBONYLISOCYANATECARBONYL CHLORIDE ISOCYANATEN-chlorocarbonyl isocynateA15444Carbonisocyanatidoyl chlorideN-(Chlorocarbonyl) isocyanateSCHEMBL127085

Database identifiers

CAS: 27738-96-1
PubChem CID: 119708
DTXSID: DTXSID50182087
EC Number: 248-631-2
Nikkaji: J250.582G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 64 ℃ · 64℃
Boiling point: 63 °C · 63 °C(lit.)
Density: 1.31 g/mL · 1.31 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.432(lit.)
Flash point: 230 °F · >230 °F
Symbol(GHS): 8 · GHS08,GHS07,GHS05
Signal word: Danger
Hazard statements: 317 · H317-H314-H332-H302-H312-H334
Precautionary statements: 261 · P261-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 Codes: C
Risk Statements: 20 · 20/21/22-34-42/43
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 2922 · UN 2922 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 6.1 · 6.1(b)
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

F: 10-21
wgk: 3
ridadr: UN 2922 8/PG 2
risk_code: 20/21/22-34-42/43
Signal word: Danger
Symbol(GHS): GHS08,GHS07,GHS05
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 6.1(b)
packing_group: III
Hazard statements: H317-H314-H332-H302-H312-H334
Precautionary statements: P261-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