Benzotriazol-1-ylmethyl-(2,3-dichloro-phenyl)-amine
Basic information
- CAS
351993-88-9- Standard SMILES
Clc1cccc(NCn2nnc3ccccc32)c1Cl- InChIKey
CKZSPQIIOBZZRC-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N4
- Average molar mass
- 293.15 g/mol
- Monoisotopic mass
- 292.0282517
Names & identifiers
- Preferred name
- Benzotriazol-1-ylmethyl-(2,3-dichloro-phenyl)-amine
- IUPAC
- N-(benzotriazol-1-ylmethyl)-2,3-dichloroaniline
- English name
- N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,3-dichloroaniline
- Molecular formula
- C13H10Cl2N4
- Molecular weight
- 293.15
Names & synonyms
WAY-313318351993-88-9Benzotriazol-1-ylmethyl-(2,3-dichloro-phenyl)-amineN-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-2,3-dichloroanilineN-(benzotriazol-1-ylmethyl)-2,3-dichloroanilineEnamine_001534orb1943937HMS1398F16EX-A10671STK267941AKOS000741423AS-86862
Show more names
1H-Benzotriazole-1-methanamine, N-(2,3-dichlorophenyl)-N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,3-dichloroaniline
DA-78959HY-149742CS-0906698ST50232854(benzotriazolylmethyl)(2,3-dichlorophenyl)amineH27567T80826AK-918/11182007
Database identifiers
- CAS
351993-88-9- PubChem CID
- 761479
- EC Number
- 163-326-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 512.5 · 512.5±40.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 1.67 · 1.67±0.30(Predicted)
- color
- White to off-white
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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. 3 (100%)
Chemistry & industry
Applications
UsesWAY-313318 is an active molecule.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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