Basic information
- CAS
122062-65-1- Standard SMILES
O=[N+]([O-])c1cccc(NCn2nnc3ccccc32)c1- InChIKey
FSJMZFUALNDQSF-UHFFFAOYSA-N- Molecular formula
- C13H11N5O2
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.09127461
Names & identifiers
- Preferred name
- Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine
- IUPAC
- N-(benzotriazol-1-ylmethyl)-3-nitroaniline
Names & synonyms
122062-65-1Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amineRefChem:566372653-377-4N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-3-nitroaniline(1H-1,2,3-Benzotriazol-1-ylmethyl)(3-nitrophenyl)amineN-(benzotriazol-1-ylmethyl)-3-nitroanilineCBDivE_004535STK396401AKOS000638009CCG-329329(benzotriazolylmethyl)(3-nitrophenyl)amine
Show more names
CS-0338589N-(benzotriazol-1-ylmethyl)-3-nitro-anilineST50182237N-(1H-benzotriazol-1-ylmethyl)-3-nitroanilineN-[(1H-benzotriazol-1-yl)methyl]-3-nitroanilineSR-01000401479SR-01000401479-1
Database identifiers
- CAS
122062-65-1- PubChem CID
- 682154
- EC Number
- 653-377-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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