Disodium 1,2,4,5-tetrazine-3,6-dicarboxylate
Basic information
- CAS
113631-48-4- Standard SMILES
O=C([O-])c1nnc(C(=O)[O-])nn1.[Na+].[Na+]- InChIKey
HENHORAEJXDWQQ-UHFFFAOYSA-L- Molecular formula
- C4N4Na2O4
- Average molar mass
- 214.05 g/mol
- Monoisotopic mass
- 213.97149306
Names & identifiers
- Preferred name
- Disodium 1,2,4,5-tetrazine-3,6-dicarboxylate
- IUPAC
- disodium;1,2,4,5-tetrazine-3,6-dicarboxylate
- English name
- [1,2,4,5]Tetrazine-3,6-dicarboxylic acid, disodium salt
- Molecular formula
- C4N4Na2O4
- Molecular weight
- 214.05
Names & synonyms
113631-48-4disodium 1,2,4,5-tetrazine-3,6-dicarboxylateDTXSID20655096RefChem:339123DTXCID90605846Sodium 1,2,4,5-tetrazine-3,6-dicarboxylatedisodium;1,2,4,5-tetrazine-3,6-dicarboxylate[1,2,4,5]Tetrazine-3,6-dicarboxylic acid, disodium saltMFCD03931621disodium1,2,4,5-tetrazine-3,6-dicarboxylateC4N4Na2O4AKOS015911001
Show more names
SALOR-INT L165573-1EA
AKOS024406197AT22115EBC-5905087DB-250009CS-0260579EN300-7544060F6723301,2,4,5-Tetrazine-3,6-dicarboxylic acid sodium salt (1:2)
Database identifiers
- CAS
113631-48-4- PubChem CID
- 44537560
- DTXSID
DTXSID20655096- EC Number
- 993-888-2
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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