Basic information
- CAS
2022-78-8- Standard SMILES
O=c1ncc(F)c[nH]1- InChIKey
HPABFFGQPLJKBP-UHFFFAOYSA-N- Molecular formula
- C4H3FN2O
- Average molar mass
- 114.08 g/mol
- Monoisotopic mass
- 114.02294094
Overview
5-fluoro-1H-pyrimidin-2-one is an organohalogen compound and a member of pyrimidines.
Names & identifiers
- Preferred name
- 5-Fluoropyrimidin-2-one
- IUPAC
- 5-fluoro-1H-pyrimidin-2-one
- English name
- 5-Fluoro-2-hydroxypyrimidine
- Molecular formula
- C4H3FN2O
- Molecular weight
- 114.08
Names & synonyms
2022-78-85-Fluoropyrimidin-2-one2-Hydroxy-5-fluoropyrimidine5-Fluoro-2(1H)-pyrimidinone1VXI7T1BI54-deoxy-5-fluorouracilNSC-529069DTXSID90174067RefChem:535999DTXCID60965585-fluoropyrimidin-2-ol5-Fluoro-2-hydroxypyrimidine
Show more names
Compound Fr143705-fluoro-2-pyrimidinone5-FLUORO-2(1H)-PYRIMIDONE
5-Fluoropyrimidin-2(1H)-one214290-48-95-fluoro-1H-pyrimidin-2-one2(1H)-Pyrimidinone, 5-fluoro-5-Fluoro-2-pyrimidinol5-fluoro-2-pyrimidone5-fluoro-pyrimidin-2-ol5-fluoropyrimid-2-one
Database identifiers
- CAS
2022-78-8、214290-48-9- PubChem CID
- 101498
- DTXSID
DTXSID90174067- ChEMBL
CHEMBL4303165- ChEBI
CHEBI:125539- UNII
- 1VXI7T1BI5
- EC Number
- 624-556-4、851-599-8
- Nikkaji
- J648.108F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 170 · 170-174 °C
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 7.39 · 7.39±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
- InChIKey
- HPABFFGQPLJKBP-UHFFFAOYSA-N
- SMILES
- Oc1ncc(F)cn1
- FDA UNII
- 1 VXI7T1BI5 · 1VXI7T1BI5
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-Fluoro-2-hydroxypyrimidine can be used as a reactant in the preparation of: Manganese fluoro(hydroxy)pyrimidinato aqua dinuclear complex [Mn2(Fpymo)4(H2O)4]. 2-Chloro-5-fluoropyrimidine by treating with POCl3.
Suppliers5 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
常州施力医药科技有限公司051988727299; 13961229012 · [email protected]
扬州海昊生物科技有限公司0514-15895751441 15895751441 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
杭州米龙生物科技有限公司18083715844 · [email protected]
Additional notes
DefinitionChEBI: 5-fluoro-1H-pyrimidin-2-one is an organohalogen compound and a member of pyrimidines.
Related reactions
24 records
Compound notes
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