2-Chloro-5-fluoropyrimidin-4-ol
Basic information
- CAS
155-12-4- Standard SMILES
O=c1[nH]c(Cl)ncc1F- InChIKey
FHTLMXYURUPWJB-UHFFFAOYSA-N- Molecular formula
- C4H2ClFN2O
- Average molar mass
- 148.52 g/mol
- Monoisotopic mass
- 147.9839685
Names & identifiers
- Preferred name
- 2-Chloro-5-fluoropyrimidin-4-ol
- IUPAC
- 2-chloro-5-fluoro-1H-pyrimidin-6-one
- English name
- 2-Chloro-5-fluoropyrimidin-4-one
- Molecular formula
- C4H2ClFN2O
- Molecular weight
- 148.52
Names & synonyms
2-chloro-5-fluoropyrimidin-4-olRefChem:469340814-809-9155-12-42-Chloro-4-hydroxy-5-fluoropyrimidine2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE2-chloro-5-fluoropyrimidin-4(3H)-one2-chloro-5-fluoro-1H-pyrimidin-6-one4(3H)-pyrimidinone, 2-chloro-5-fluoro-MFCD013466892-chloro-5-fluoro-3H-pyrimidin-4-one2-Chloro-5-fluoro-4-hydroxypyrimidine
Show more names
N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-N-(5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)nitrous amideAbemaciclib Impurity 362-Chloro-5-fluoro-4-pyrimidinone2-Chloro-5-fluoro-pyrimidin-4-ol2-Chloro-5-fluoro-4(3H)-pyrimidinone2-Chloro-5-fluoro-1H-pyriMidine-6-one
4(1H)-Pyrimidinone, 2-chloro-5-fluoro-2-chloro-5-fluoro-3,4-dihydropyrimidin-4-oneNCIOpen2_000832DTXSID10292217MFCD00042209NSC-808502-chloro-5-fluoro-3H-pyrimidin4-one5-fluoro-2-chloro-3H-pyrimidin-4-one
Database identifiers
- CAS
155-12-4- PubChem CID
- 255394
- DTXSID
DTXSID10292217- UNII
- KCH3TJF2KT
- EC Number
- 814-809-9
- Nikkaji
- J2.501.505C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 176 · 176-177 °C(Solv: ethanol (64-17-5))
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- pka
- 4.48 · 4.48±0.50(Predicted)
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- 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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
28 records
Compound notes
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