Carbamic chloride
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Basic information
- CAS
463-72-9- Standard SMILES
NC(=O)Cl- InChIKey
CKDWPUIZGOQOOM-UHFFFAOYSA-N- Molecular formula
- CH2ClNO
- Average molar mass
- 79.48 g/mol
- Monoisotopic mass
- 78.98249136
Overview
Carbamyl chloride is an organonitrogen compound.
Names & identifiers
- Preferred name
- Carbamic chloride
- IUPAC
- carbamoyl chloride
- English name
- Carbamic chloride
- Molecular formula
- CH2ClNO
- Molecular weight
- 79.49
Names & synonyms
Carbamyl chloride463-72-9Carbamic chlorideA3M01P14SMRefChem:1080984207-342-1Carbamoyl chlorideCarbamic chloride (9CI)carbamic acid chloridechloroformamideurea chloridecarbamoylchloride
Show more names
N-Carbamic chlorideCariprazine Impurity 18Methylparaben Impurity 18
Carbonochloridimidic acid1-CHLOROFORMAMIDECARBAMINOYL CHLORIDEUNII-A3M01P14SMSCHEMBL1013913011-47-7SCHEMBL991031CARBAMYL CHLORIDE [MI]
Database identifiers
- CAS
463-72-9- PubChem CID
- 68048
- DTXSID
DTXSID40963544- ChEBI
CHEBI:192410- UNII
- A3M01P14SM
- EC Number
- 207-342-1
- Nikkaji
- J2.592E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 35
Physicochemical properties
- Melting point
- 90 ℃ · 90℃
- Boiling point
- 61 · bp 61-62° (decompn)
- Density
- 1.3273 · 1.3273 (rough estimate)
- refractive index
- 1.448 · 1.4480 (estimate)
- pka
- 11.6 · 11.60±0.50(Predicted)
- FDA UNII
- 3 M01P14SM · A3M01P14SM
Chemistry & industry
Applications
UsesCarbamoyl chloride can be used as an intermediate for carbamate pesticides.
UsesCarbamoyl chlorides are intermediates with many uses. Of primary industrial importance are the reactions with alcohols, phenols, and oximes to give carbamic acid esters; with thiols (mercaptans) to give thiocarbamates; with amines and hydroxylamines to give substituted ureas; and with imidazoles and triazoles to give carbamoyl azoles.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Carbamyl chloride is an organonitrogen compound.
Related reactions
47 records
Compound notes
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