7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

HCID 356175CAS 22246-45-3

Substructure search Find similar structures

Basic information

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 Å²
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

GHS classification

GHS Classification · 4 items

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.