2-(4-Chlorophenyl)-2H-1,2,3-benzotriazol-5-ylamine
Basic information
- CAS
40655-09-2- Standard SMILES
Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1- InChIKey
GEQWBCPSXJTWRI-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4
- Average molar mass
- 244.68 g/mol
- Monoisotopic mass
- 244.051574
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2H-1,2,3-benzotriazol-5-ylamine
- IUPAC
- 2-(4-chlorophenyl)benzotriazol-5-amine
- English name
- 2-(4-Chloro-phenyl)-2H-benzotriazol-5-ylamine
- Molecular formula
- C12H9ClN4
- Molecular weight
- 244.68
Names & synonyms
2-(4-CHLOROPHENYL)-2H-1,2,3-BENZOTRIAZOL-5-YLAMINERefChem:457366657-370-740655-09-22-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-amine2-(4-chlorophenyl)benzotriazol-5-amine2-(4-chlorophenyl)-2H-benzo[d][1,2,3]triazol-5-amine2-(4-chlorophenyl)-2H-benzotriazol-5-amineMFCD019330432-(4-chlorophenyl)-2-hydrobenzotriazole-5-ylamine2H-1,2,3-benzotriazol-5-amine, 2-(4-chlorophenyl)-CBMicro_004361
Show more names
SBB009772BAS 06839563AKOS BB-8211SMR000290975ZINC00123094ASISCHEM T30976BIM-0004166.P001ART-CHEM-BB B025248
MLS000718707SCHEMBL3219268CHEMBL1413075DTXSID601324156HMS1609F20HMS2744H22ALBB-026819SMSF0011434
Database identifiers
- CAS
40655-09-2- PubChem CID
- 721114
- DTXSID
DTXSID601324156- ChEMBL
CHEMBL1413075- EC Number
- 657-370-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 224.5 · 224.5-225.5 °C(Solv: benzene (71-43-2))
- Boiling point
- 459 · 459.0±51.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 2.69 · 2.69±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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