Basic information
- CAS
720-69-4- Standard SMILES
Nc1nc(N)nc(-c2ccc([N+](=O)[O-])o2)n1- InChIKey
SUDMLGKFWIJSEI-UHFFFAOYSA-N- Molecular formula
- C7H6N6O3
- Average molar mass
- 222.16 g/mol
- Monoisotopic mass
- 222.05013807
Names & identifiers
- Preferred name
- 4,6-Diamino-2-(5-nitro-2-furyl)-s-triazine
- IUPAC
- 6-(5-nitrofuran-2-yl)-1,3,5-triazine-2,4-diamine
- English name
- S-TRIAZINE,4,6-DIAMINO-2-(5-NITRO-2-FURYL)-
- Molecular weight
- 0
Names & synonyms
720-69-46-(5-nitrofuran-2-yl)-1,3,5-triazine-2,4-diamine4,6-Diamino-2-(5-nitro-2-furyl)-s-triazines-Triazine, 2,4-diamino-6-(5-nitro-2-furyl)-4,6-Diamino-2-(5-nitro-2-furyl)-1,3,5-triazine6-(5-Nitro-2-furanyl)-1,3,5-triazine-2,4-diamines-Triazine, 4,6-diamino-2-(5-nitro-2-furyl)-1,3,5-Triazine-2,4-diamine,6-(5-nitro-2-furanyl)-MLS0026383771,3,5-Triazine-2,4-diamine, 6-(5-nitro-2-furanyl)-NSC14430NSC-14430
Show more names
4,6-DIAMINO-2-(5-NITROFURYL)-S-TRIAZINES-TRIAZINE,4,6-DIAMINO-2-(5-NITRO-2-FURYL)-
WLN: T6N CN ENJ BZ DZ F- BT5OJ ENWCCRIS 922NSC 14430BRN 02510376-(5-nitro-2-furyl)-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(5-nitro-2-furyl)-KB9HX6DT5ZCHEMBL315614
Database identifiers
- CAS
720-69-4- PubChem CID
- 69756
- DTXSID
DTXSID7020396- ChEMBL
CHEMBL315614
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 363.33 °C · 363.33°C (rough estimate)
- Density
- 1.5366 · 1.5366 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- FDA UNII
- 9 HX6DT5Z · KB9HX6DT5Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- 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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