Dihydroxyurea
Basic information
- CAS
686-68-0- Standard SMILES
O=C(NO)NO- InChIKey
IBTSIFIGTARYRB-UHFFFAOYSA-N- Molecular formula
- CH4N2O3
- Average molar mass
- 92.05 g/mol
- Monoisotopic mass
- 92.02219199
Overview
Dihydrourea is a colorless prisms. (NTP, 1992)
Names & identifiers
- Preferred name
- Dihydroxyurea
- IUPAC
- 1,3-dihydroxyurea
- English name
- Dihydrourea
- Molecular formula
- CH4N2O3
- Molecular weight
- 92.05
Names & synonyms
DIHYDROXYUREAUrea, N,N'-dihydroxy-N,N'-dihydroxyureaN',N-DihydroxyureadihydroureaUNII-16UJ4Q60DXNSC 52876216UJ4Q60DXNSC-528762DIHYDROXYUREA, 1,3-DTXSID9074852RefChem:134004
Show more names
Avobenzone Impurity 25Hydroxy Urea Impurity 11
DTXCID7046174Urea, N,N'-dihydroxy-(9CI)1,3-Dihydroxyurea686-68-0Urea, 1,3-dihydroxy-Hydroxy Urea Impurity 1hydroxyaminoketoneUrea,3-dihydroxy-
Database identifiers
- CAS
686-68-0- PubChem CID
- 12706
- DTXSID
DTXSID9074852- UNII
- 16UJ4Q60DX
- Nikkaji
- J2.208.819J
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
Melting PointDecomposes with partial melting at 216-223 °F (NTP, 1992)
Physical DescriptionDihydrourea is a colorless prisms. (NTP, 1992)
Physicochemical properties
- Melting point
- 102 · 102-106 °C (decomp)
- Density
- 1.679 · 1.679±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.23(Predicted)
- Stability
- Stable, but should be stored cold. Incompatible with strong oxidizing agents.
- FDA UNII
- 16 UJ4Q60DX · 16UJ4Q60DX
- EPA Substance Registry System
- N,N'-dihydroxyurea (686-68-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data are not available for this compound, but it is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
DIHYDROUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this compound may be controlled using dry chemicals, CO2, alcohol foam, and/or Halon extinguishers. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Chemistry & industry
Applications
General DescriptionColorless prisms.
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Compound notes
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