Basic information
- CAS
30516-22-4- Standard SMILES
Clc1ccccc1Cn1nnc2ccccc21- InChIKey
XNNFKVSXEIKYER-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.056325
Names & identifiers
- Preferred name
- 1-(2-chlorobenzyl)-1H-benzo[d][1,2,3]triazole
- IUPAC
- 1-[(2-chlorophenyl)methyl]benzotriazole
- English name
- 1-(2-chlorobenzyl)-1H-benzo[d][1,2,3]triazole
- Molecular formula
- C13H10ClN3
- Molecular weight
- 243.69
Names & synonyms
30516-22-41-(2-chlorobenzyl)-1H-benzo[d][1,2,3]triazole1-[(2-Chlorophenyl)methyl]-1H-1,2,3-benzotriazole1-[(2-chlorophenyl)methyl]benzotriazole1-(2-chlorobenzyl)-1H-benzotriazolestarbld0025763MLS001165144F1286-0010CHEMBL1529131DTXSID401324548HMS2870E22STL259808
Show more names
AKOS001102691SMR000540393CS-03237031-[(2-Chlorophenyl)methyl]-1H-benzotriazole1H-Benzotriazole, 1-[(2-chlorophenyl)methyl]-F181465SR-01000260753SR-01000260753-1
Database identifiers
- CAS
30516-22-4- PubChem CID
- 889397
- DTXSID
DTXSID401324548- ChEMBL
CHEMBL1529131- Nikkaji
- J465.660A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Solubility9.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers5 total
Fluorochem Ltd[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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