Potassium benzyl cyanocarbamate
Basic information
- CAS
50909-46-1- Standard SMILES
N#C[N-]C(=O)OCc1ccccc1.[K+]- InChIKey
HZBHQPNPJVDRMR-UHFFFAOYSA-M- Molecular formula
- C9H7KN2O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.01445896
Names & identifiers
- Preferred name
- Potassium benzyl cyanocarbamate
- IUPAC
- potassium cyano(phenylmethoxycarbonyl)azanide
- English name
- Potassium N-cyanocarbamic acid, phenylmethyl ester
- Molecular formula
- C9H9KN2O2
- Molecular weight
- 216.28
Names & synonyms
50909-46-1Potassium benzyl cyanocarbamateCArbamic acid, N-cyano-, phenylmethyl ester, potassium saltBENZYL N-CYANO-N-POTASSIOCARBAMATELooper Reagentium benzyl cyanocarbamatePotassium N-cyanocarbamic acid, phenylmethyl ester
Database identifiers
- CAS
50909-46-1- PubChem CID
- 53473074
- EC Number
- 185-238-4
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 228 · 228-232°C
- form
- solid
- InChI
- 1S/C9H8N2O2.K/c10-7-11-9(12)13-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,11,12);/q;+1/p-1
- InChIKey
- HZBHQPNPJVDRMR-UHFFFAOYSA-M
- SMILES
- [K]N(C#N)C(=O)OCc1ccccc1
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesIn tandem with TMSCl, product generates an in situ N-silylcarbodiimide that rapidly guanylates a variety of amines at room temperature.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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