Basic information
- CAS
1193-24-4- Standard SMILES
O=c1cc(O)nc[nH]1- InChIKey
DUFGYCAXVIUXIP-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.02727738
Overview
4,6-dihydroxypyrimidine is a hydroxypyrimidine.
Names & identifiers
- Preferred name
- 6-Hydroxy-4-pyrimidinone
- IUPAC
- 4-hydroxy-1H-pyrimidin-6-one
- English name
- 4,6-Dihydroxypyrimidine
- Molecular formula
- C4H4N2O2
- Molecular weight
- 112.09
Names & synonyms
4,6-DIHYDROXYPYRIMIDINE1193-24-44,6-Pyrimidinediol4(3H)-Pyrimidinone, 6-hydroxy-4(1H)-Pyrimidinone, 6-hydroxy-6-hydroxypyrimidin-4(3H)-one6-Hydroxy-4-pyrimidinone6-Hydroxy-1H-pyrimidin-4-one4,6-DihydroxypyrimidinNSC 228384,6-Dihydroxypyrimidin [German]EINECS 214-772-3
Show more names
Pyrimidine-4,6-diolDihydroxypyriMidine4,6-DihydroxyAURORA KA-54824,6-Dioxypyrimidine4,6-Dihydroxyphenol4,6-Dihydroxypyrimid
NSC-228386Hydroxy4(1H)pyrimidinone6L93V0S662HYDROXY-4(1H)-PYRIMIDINONE, 6-EC 214-772-34,6pyrimidinediol4,6Dihydroxypyrimidin6Hydroxy1Hpyrimidin4one
Database identifiers
- CAS
1193-24-4- PubChem CID
- 14512
- DTXSID
DTXSID6025434- ChEMBL
CHEMBL1722176
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrimidines
Solubility>16.8 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 209.98 °C · 209.98°C (rough estimate)
- Density
- 1.4421 · 1.4421 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 1.461 · 1.4610 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2.5 g/L · 2.5 g/L (20° C)
- form
- Powder
- pka
- 5.7 · 5.70±0.10(Predicted)
- color
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
This chemical does not meet GHS hazard criteria for 47.7% (41 of 86) of reports.
Warning
H315 (52.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 86 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 6-hydroxy-1H-pyrimidin-4-one (EC: 214-772-3)
4(1H)-Pyrimidinone, 6-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (52.3%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UW7523000
- hs_code
- 29335995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4(3H)-Pyrimidinone, 6-hydroxy-: INACTIVE
Applications
Uses4,6-Dihydroxypyrimidine (cas# 1193-24-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…