Basic information
- CAS
254-87-5- Standard SMILES
c1ccc2nncnc2c1- InChIKey
GDAXJBDYNVDMDF-UHFFFAOYSA-N- Molecular formula
- C7H5N3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.04834717
Overview
1,2,4-benzotriazine is a benzotriazine.
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazene
- IUPAC
- 1,2,4-benzotriazine
- English name
- 1,2,4-benzotriazene
- Molecular formula
- C7H5N3
- Molecular weight
- 131.13
Names & synonyms
1,2,4-Benzotriazine1,2,4-Benzotriazene254-87-51,2,4-triazanaphthaleneLVD8Y2BT9EEINECS 205-967-4NSC-45057CHEBI:38011DTXSID60180054NSC 45057RefChem:71512DTXCID70102545
Show more names
205-967-41,4-BenzotriazineNSC45057UNII-LVD8Y2BT9Ebenzo[e]1,2,4-triazineSCHEMBL88615SCHEMBL95080SCHEMBL3622811
Database identifiers
- CAS
254-87-5- PubChem CID
- 67491
- DTXSID
DTXSID60180054- ChEBI
CHEBI:38011- UNII
- LVD8Y2BT9E
- EC Number
- 205-967-4
- Nikkaji
- J193.692A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 75.8 °C · 75.8°C
- Boiling point
- 232.43 °C · 232.43°C (rough estimate)
- Density
- 1.2374 · 1.2374 (rough estimate)
- refractive index
- 1.5341 · 1.5341 (estimate)
- pka
- 0.45 · 0.45±0.10(Predicted)
- FDA UNII
- 8 Y2BT9E · LVD8Y2BT9E
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 1,2,4-benzotriazine is a benzotriazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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