1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-amine
Basic information
- CAS
832741-07-8- Standard SMILES
Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1- InChIKey
LKKVVLCJEWGQJO-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N4
- Average molar mass
- 243.09 g/mol
- Monoisotopic mass
- 242.0126017
Names & identifiers
- Preferred name
- 1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-amine
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
- English name
- 1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-amine
- Molecular formula
- C9H8Cl2N4
- Molecular weight
- 243.09
Names & synonyms
832741-07-81-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-amineMFCD034225831-[(3,4-Dichlorophenyl)methyl]-1H-1,2,4-triazol-3-amine1-[(3,4-DICHLOROPHENYL)METHYL]-1,2,4-TRIAZOL-3-AMINE1-(3,4-Dichlorobenzyl)-1,2-dihydro-3h-1,2,4-triazol-3-imine1-(3,4-Dichloro-benzyl)-1H-[1,2,4]triazol-3-ylamine1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazole-3-ylamine1-(3,4-Dichloro-benzyl)-1 H -[1,2,4]triazol-3-ylamineDTXSID601203269SBB020926STK313302
Show more names
1H-1,2,4-Triazol-3-amine, 1-[(3,4-dichlorophenyl)methyl]-
AKOS000305067DB-017157CS-0268860ST45092523EN300-228710F030408
Database identifiers
- CAS
832741-07-8- PubChem CID
- 7019334
- DTXSID
DTXSID601203269
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 124 · 124-127 °C(Solv: toluene (108-88-3))
- Boiling point
- 452.2 · 452.2±55.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…