Pyrimidin-5-ol
Basic information
- CAS
26456-59-7- Standard SMILES
Oc1cncnc1- InChIKey
LTXJLQINBYSQFU-UHFFFAOYSA-N- Molecular formula
- C4H4N2O
- Average molar mass
- 96.09 g/mol
- Monoisotopic mass
- 96.03236276
Names & identifiers
- Preferred name
- Pyrimidin-5-ol
- IUPAC
- pyrimidin-5-ol
- English name
- 5-Hydroxypyrimidine
- Molecular formula
- C4H4N2O
- Molecular weight
- 96.09
Names & synonyms
pyrimidin-5-ol26456-59-75-PyrimidinolDTXSID20902471RefChem:870916DTXCID001081910820-362-05-Hydroxypyrimidine284682-27-55-PYRIMIDINYLOXYMFCD064125625-Hydroxypyrimidine CH3COOH Salt
Show more names
5-Hydroxypyrimidine ,98%5-Hydroxypyrimidine acetate5-HydroxypyriMidine. AcOH salt5-Pyrimidinol (6CI,7CI,8CI,9CI)Pyrimidin-5-ol, 5-Hydroxy-1,3-diazine5-Hydroxypyrimidine 97% (acetate salt)5-Hydroxypyrimidine ISO 9001：2015 REACH
pyrimidine, 5-hydroxy-(pyrimidin-5-yl)oxidanylSCHEMBL147677SCHEMBL150007SCHEMBL533401orb2893365SCHEMBL12471301TN8662
Database identifiers
- CAS
26456-59-7、51953-13-0- PubChem CID
- 565855
- DTXSID
DTXSID20902471- EC Number
- 820-362-0
- Nikkaji
- J542.686C
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.7
Physicochemical properties
- Melting point
- 212 · 212-214°C
- Boiling point
- 227.2 · 227.2±13.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 6.6 · 6.60±0.10(Predicted)
- form
- Solid
- color
- Light Beige to Beige
- InChI
- InChI=1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
- InChIKey
- LTXJLQINBYSQFU-UHFFFAOYSA-N
- SMILES
- C1=NC=C(O)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271
- HS Code
- 29335990 · 29335990
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271
Chemistry & industry
Applications
Uses5-Hydroxypyrimidine (cas# 26456-59-7) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
19 records
Compound notes
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