N-(1H-benzotriazol-1-ylmethyl)-3-chloro-5-nitroaniline
Basic information
- CAS
438538-72-8- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(NCn2nnc3ccccc32)c1- InChIKey
UCMIFHUSQUSPPS-UHFFFAOYSA-N- Molecular formula
- C13H10ClN5O2
- Average molar mass
- 303.7 g/mol
- Monoisotopic mass
- 303.0523023
Names & identifiers
- Preferred name
- N-(1H-benzotriazol-1-ylmethyl)-3-chloro-5-nitroaniline
- IUPAC
- N-(benzotriazol-1-ylmethyl)-3-chloro-5-nitroaniline
Names & synonyms
438538-72-8N-(1H-benzotriazol-1-ylmethyl)-3-chloro-5-nitroanilineN-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-3-chloro-5-nitroanilineN-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3-chloro-5-nitroanilineN-(benzotriazol-1-ylmethyl)-3-chloro-5-nitroanilineBBL001141MFCD00416834STK366402AKOS005443013VS-00822ST51059645(benzotriazolylmethyl)(5-chloro-3-nitrophenyl)amine
Show more names
N-(benzotriazol-1-ylmethyl)-3-chloro-5-nitro-anilineN-(1H-1,2,3-benzotriazol-1-ylmethyl)-3-chloro-5-nitroaniline
Database identifiers
- CAS
438538-72-8- PubChem CID
- 3819983
- EC Number
- 125-925-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…