7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
Basic information
- CAS
22246-45-3- Standard SMILES
O=C1CCCc2cc([N+](=O)[O-])ccc2N1- InChIKey
ASVGSXZZZWXPRE-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
Names & identifiers
- Preferred name
- 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
- IUPAC
- 7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
- English name
- 7-Nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
- Molecular formula
- C10H10N2O3
- Molecular weight
- 206.2
Names & synonyms
22246-45-37-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-oneRefChem:546903981-722-17-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one7-Nitro-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-oneMFCD00985061NSC611258SCHEMBL2061739ASVGSXZZZWXPRE-UHFFFAOYSA-N
Show more names
4,5-DIHYDRO-7-NITRO-1H-BENZO[B]AZEPIN-2(3H)-ONE1,3,4,5-Tetrahydro-7-nitro-2H-benzazepin-2-on7-nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2H-1-Benzazepin-2-one, 1,3,4,5-tetrahydro-7-nitro-
AKOS022176688NSC-611258PB26044AS-50418DB-369581CS-0004302EN300-41705P10162
Database identifiers
- CAS
22246-45-3- PubChem CID
- 356175
- EC Number
- 981-722-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Related reactions
25 records
Compound notes
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