4,6-Dimethoxy-5-nitropyrimidine
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Basic information
- CAS
15846-14-7- Standard SMILES
COc1ncnc(OC)c1[N+](=O)[O-]- InChIKey
VPNSJECDVDBDTA-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- 4,6-Dimethoxy-5-nitropyrimidine
- IUPAC
- 4,6-dimethoxy-5-nitropyrimidine
- English name
- 4,6-dimethoxy-5-nitropyrimidine
- Molecular formula
- C6H7N3O4
- Molecular weight
- 185.14
Names & synonyms
4,6-Dimethoxy-5-nitropyrimidinePyrimidine, 4,6-dimethoxy-5-nitro-EINECS 239-955-5DTXSID3065956RefChem:96661DTXCID4035093239-955-5VPNSJECDVDBDTA-UHFFFAOYSA-N15846-14-7MFCD001297314,6-dimethoxy-5-nitro-pyrimidine5-nitro-4,6-dimethoxypyrimidine
Show more names
SCHEMBL916500346-Dimethoxy-5-nitropyrimidineSBB055920AKOS002662796DS-7490SB57391SY317092DB-228957
Database identifiers
- CAS
15846-14-7- PubChem CID
- 85139
- DTXSID
DTXSID3065956- EC Number
- 239-955-5
- Nikkaji
- J219.854A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 364.4 · 364.4±37.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.8 · -1.80±0.26(Predicted)
- EPA Substance Registry System
- 4 · Pyrimidine, 4,6-dimethoxy-5-nitro- (15846-14-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrimidine, 4,6-dimethoxy-5-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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