5,5'-Diamino-3,3'-bis-1,2,4-triazole
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Basic information
- CAS
22819-10-9- Standard SMILES
Nc1n[nH]c(-c2nc(N)n[nH]2)n1- InChIKey
SHHKWIJFVUHKCA-UHFFFAOYSA-N- Molecular formula
- C4H6N8
- Average molar mass
- 166.15 g/mol
- Monoisotopic mass
- 166.07154223
Overview
See also: 1H,1'H-(3,3')BI((1,2,4)Triazolyl)-5,5'-diamine (annotation moved to).
Names & identifiers
- Preferred name
- 5,5'-Diamino-3,3'-bis-1,2,4-triazole
- IUPAC
- 5-(3-amino-1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine
- English name
- 5,5'-Diamino-3,3'-bis-1,2,4-triazole
- Molecular formula
- C4H6N8
- Molecular weight
- 166.14
Names & synonyms
5,5'-Diamino-3,3'-bis-1,2,4-triazoleDTXSID20341482RefChem:1072113DTXCID4029256322819-10-95-(3-amino-1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine2H,2'H-3,3'-bi-1,2,4-triazole-5,5'-diamine1H,1'H-[3,3'-Bi(1,2,4-triazole)]-5,5'-diamineMFCD00625841[3,3'-Bi-1H-1,2,4-triazole]-5,5'-diamine5-(5-amino-2H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine[5,5'-bi-1H-1,2,4-triazole]-3,3'-diamine
Show more names
5,5-diamino-1H,1H-3,3'-bis-1,2,4-triazole1H,1′H-[3,3′-bi-1,2,4-triazole]-5,5′-diamine1H,1'H-[3,3']Bi[[1,2,4]triazolyl]-5,5'-diamine[5-(5-amino-2H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-yl]amine
5,5//'-Diamino-3,3//'-bis-1,2,4-triazole2H,2'H-[3,3'-Bi-1,2,4-triazole]-5,5'-diamine3,3'-amino-5,5'-bi[1H-1,2,4-triazole]Cambridge id 5131411C4H6N8SCHEMBL2493952SCHEMBL3463283SHHKWIJFVUHKCA-UHFFFAOYSA-N
Database identifiers
- CAS
22819-10-9- PubChem CID
- 573397
- DTXSID
DTXSID20341482- Nikkaji
- J821.478F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 350 °C · >350 °C
- Boiling point
- 723 · 723.0±43.0 °C(Predicted)
- Density
- 1.87 · 1.870±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.52 · 8.52±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses5,5'-Diamino-3,3'-bis-1,2,4-triazole is used as a monomer for the synthesis of COF materials: high-energy compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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