Basic information
- CAS
1193-56-2- Standard SMILES
O=c1[nH]cnc(O)c1Cl- InChIKey
VZKFMOMJNOUARI-UHFFFAOYSA-N- Molecular formula
- C4H3ClN2O2
- Average molar mass
- 146.53 g/mol
- Monoisotopic mass
- 145.988305
Names & identifiers
- Preferred name
- 4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-
- IUPAC
- 5-chloro-4-hydroxy-1H-pyrimidin-6-one
- English name
- 5-chloro-6-hydroxy-1H-pyrimidin-4-one
- Molecular formula
- C4H3ClN2O2
- Molecular weight
- 146.53
Names & synonyms
4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-5-Chloro-4,6-dihydroxypyrimidine4(1H)-Pyrimidinone, 5-chloro-6-hydroxy-EINECS 214-774-4NSC 42601RefChem:5062765-Chloropyrimidine-4,6-diol1193-56-25-chloro-4-hydroxy-1H-pyrimidin-6-one5-Chloro-6-hydroxy-1H-pyrimidin-4-one5-Chloro-6-hydroxy-4(1H)-pyrimidinoneMFCD00047381
Show more names
4(1H)-Pyrimidinone, 5-chloro-6-hydroxy- (9CI)
MFCD18374057NSC426015-chloro-6-hydroxy-1,4-dihydropyrimidin-4-oneSCHEMBL2115437DTXSID90615984,6-Pyrimidinediol, 5-chloro-VZKFMOMJNOUARI-UHFFFAOYSA-NAKOS006350137
Database identifiers
- CAS
1193-56-2- PubChem CID
- 70946
- DTXSID
DTXSID9061598- EC Number
- 214-774-4
- Nikkaji
- J203.461A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 260 °C · 260 °C
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.22 · 3.22±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- EPA Substance Registry System
- 5 · 5-Chloro-6-hydroxy-4(1H)-pyrimidinone (1193-56-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-: INACTIVE
Suppliers36 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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