4-Chloropteridine
Basic information
- CAS
72700-48-2- Standard SMILES
Clc1ncnc2nccnc12- InChIKey
RPTAZGNUCCXMMY-UHFFFAOYSA-N- Molecular formula
- C6H3ClN4
- Average molar mass
- 166.57 g/mol
- Monoisotopic mass
- 166.0046238
Names & identifiers
- Preferred name
- 4-Chloropteridine
- IUPAC
- 4-chloropteridine
- English name
- 4-CHLORO-PTERIDINE
- Molecular formula
- C6H3ClN4
- Molecular weight
- 166.57
Names & synonyms
4-chloropteridine72700-48-2DTXSID10428074RefChem:292159DTXCID503789084-CHLORO-PTERIDINEMFCD08061287Pteridine, 4-chloro-orb3238129SCHEMBL4573957RPTAZGNUCCXMMY-UHFFFAOYSA-NAKOS005208434
Show more names
DB-050764CS-0331227F729374
Database identifiers
- CAS
72700-48-2- PubChem CID
- 7147306
- DTXSID
DTXSID10428074
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 303.8 · 303.8±37.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 0.3 · 0.30±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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