2-Chloro-5-fluoropyrimidin-4-amine
Basic information
- CAS
155-10-2- Standard SMILES
Nc1nc(Cl)ncc1F- InChIKey
SLQAJWTZUXJPNY-UHFFFAOYSA-N- Molecular formula
- C4H3ClFN3
- Average molar mass
- 147.54 g/mol
- Monoisotopic mass
- 146.999953
Overview
4-Amino-2-chloro-5-fluoropyrimidine is an organohalogen compound and a member of pyrimidines.
Names & identifiers
- Preferred name
- 2-Chloro-5-fluoropyrimidin-4-amine
- IUPAC
- 2-chloro-5-fluoropyrimidin-4-amine
- English name
- 4-Amino-2-chloro-5-fluoropyrimidine
- Molecular formula
- C4H3ClFN3
- Molecular weight
- 147.54
Names & synonyms
2-chloro-5-fluoropyrimidin-4-amineRefChem:469339625-110-14-Amino-2-chloro-5-fluoropyrimidine155-10-24-Pyrimidinamine, 2-chloro-5-fluoro-MFCD000573442-chloro-5-fluoro-pyrimidin-4-amine2-Chloro-5-fluoro-pyrimidin-4-ylamineCHEBI:1945892-Chlor-4-amino-5-fluorpyrimidinSTL376308
Show more names
2-Chloro-5-fluoro-4-pyrimidinamine2-CHLORO-4-AMINO-5-FLUOROPYRIMIDINE2-Chloro-5-fluoropyrimidine-4-amine2-chloro-4-animo-5-fluoropyrimidine6-Chloro-5-fluoro-pyriMidin-4-ylaMine4-Amino-2-chloro-5-fluoropyrimidine >
2-chloro-5-fluoropyrimidine-4-ylamineCS-W018200PS-64082-chloro-5-fluoro-4-aminopyrimidineNSC787162-chloro-5-fluoropyrimidin-4-ylamineNCIOpen2_000951orb3030593
Database identifiers
- CAS
155-10-2- PubChem CID
- 254372
- DTXSID
DTXSID70291847- ChEBI
CHEBI:194589- EC Number
- 625-110-1
- Nikkaji
- J429.867E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 193 to · 193.0 to 197.0 °C
- Boiling point
- 318.5 · 318.5±22.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- soluble in Dimethylformamide
- pka
- 0.96 · 0.96±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to light yellow
- CAS DataBase Reference
- 155 · 155-10-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
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 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)
Safety data
- wgk
- 3
- hs_code
- 29335995
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses4-Amino-2-chloro-5-fluoropyrimidine is an intermediate of fluorocytosine.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 4-Amino-2-chloro-5-fluoropyrimidine is an organohalogen compound and a member of pyrimidines.
Related reactions
17 records
Compound notes
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