2-Nitroguanidine
Basic information
- CAS
556-88-7- Standard SMILES
NC(N)=N[N+](=O)[O-]- InChIKey
IDCPFAYURAQKDZ-UHFFFAOYSA-N- Molecular formula
- CH4N4O2
- Average molar mass
- 104.07 g/mol
- Monoisotopic mass
- 104.03342538
Overview
2-nitroguanidine is a nitroguanidine and a one-carbon compound. It is a tautomer of a 1-nitroguanidine.
Names & identifiers
- Preferred name
- 2-Nitroguanidine
- IUPAC
- 2-nitroguanidine
- English name
- Nitroguanidine
- Molecular formula
- CH4N4O2
- Molecular weight
- 104.07
Names & synonyms
2-Nitroguanidine.alpha.-NitroguanidineUN 0282 (Salt/Mix)UN 1336 (Salt/Mix)SCHEMBL107617SCHEMBL940991SCHEMBL940993CHEBI:39181[Oxido(oxo)hydrazono]methanediamine #AKOS006223445DB-052774Q126657
Show more names
Picrite1-NitroguanidineNIGUNSC 41036NITROGUANIDINEnitro-guanidinNitro uanidine1-nitro-guanidinGuanidine,nitro-
Database identifiers
- CAS
556-88-7- PubChem CID
- 11174
- ChEBI
CHEBI:39181
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 96.7
Experimental & physicochemical properties
PesticidesInsecticides
LogP-0.89
Physicochemical properties
- Melting point
- 239 °C · 239 °C (dec.) (lit.)
- Boiling point
- 195.15 °C · 195.15°C (rough estimate)
- Density
- 1.55 g/cm3 · 1.55g/cm3
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.685 · 1.6850 (estimate)
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 3.45 · 3.45±0.50(Predicted)
- color
- White to Off-White
- Water Solubility
- 3 g/L · 3 g/L (20 ºC)
- Merck
- 14 · 14,6607
- BRN
- 1756640 · 1756640
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- MF4600000
- ridadr
- UN 1336 4.1/PG I (NITROGUANIDINE (PICRITE), WETTED with not less than 20 % water, by mass)
- risk_code
- 11-36/37/38-5
- Signal word
- Danger
- Symbol(GHS)
- GHS01
- hazard_code
- F,Xi
- safety_code
- 16-26-33-36/37/39-47-37/39
- hazard_class
- 1.1D
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- I
- Hazard statements
- H201
- Excepted Quantities
- Not Permitted as Excepted Quantity
- REACH Registrations
- Active
- Hazard Classifications
- Desen. Expl. 4
- Precautionary statements
- P210-P230-P234-P240-P250-P280-P401-P501
- Hazardous Substances Data
- 556-88-7(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Use ClassificationInsecticides
Applications
UsesReactant involved in the synthesis of:1,5-Disubstituted-1,3,5-hexahydrotriazine-2-(N-nitro)imines with insecticidal activityHexahydrotriazine-N-nitroimine analogs with insecticidal activity via Mannich reactionsReactant involved in:The study of the effects of vessel materials on exothermic decomposition energyNitration of arenesNitration of (nitrimino)tetrahyrdooxadiazine and (nitrimino)hexahydrotriazine
UsesNitroguanidine is used in the prediction of heats of detonation of energetic compounds from their molecular structure. It is also used in the synthetic preparation of imidacloprid-d4 (I274992), which is a neonicotinoid. Reactant involved in the synthesis of: 1,5-Disubstituted-1,3,5-hexahydrotriazine-2-(N-nitro)imines with insecticidal activityHexahydrotriazine-N-nitroimine analogs with insecticidal activity via Mannich reactions Reactant involved in: The study of the effects of vessel materials on exothermic decomposition energyNitration of arenesNitration of (nitrimino)tetrahyrdooxadiazine and (nitrimino)hexahydrotriazine
General DescriptionNitroguanidine is shipped as a slurry or wet mass of pale yellow crystals. If Nitroguanidine should dry out Nitroguanidine can explode due to shock, heat, flame, or friction. The primary hazard is blast where the entire load can explode instantaneously and not from flying projectiles and fragments. Under prolonged exposure to fire or heat they can explode.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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