(5-Nitro-1-benzofuran-2-yl)methanamine
Basic information
- CAS
165735-65-9- Standard SMILES
NCc1cc2cc([N+](=O)[O-])ccc2o1- InChIKey
QTUOOFZAKSGAQH-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- (5-Nitro-1-benzofuran-2-yl)methanamine
- IUPAC
- (5-nitro-1-benzofuran-2-yl)methanamine
Names & synonyms
(5-nitro-1-benzofuran-2-yl)methanamine165735-65-9RefChem:404150984-649-3(5-Nitrobenzofuran-2-yl)methanamine2-(Aminomethyl)-5-nitrobenzofuranSCHEMBL8420073AKOS026728674CS-0285769EN300-77486
Database identifiers
- CAS
165735-65-9- PubChem CID
- 54246762
- EC Number
- 984-649-3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…