6-Nitroindan-1-one

HCID 90562

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Basic information

CAS: 24623-24-3
Standard SMILES: O=C1CCc2ccc([N+](=O)[O-])cc21
InChIKey: MLRACZPAMDFORH-UHFFFAOYSA-N
Molecular formula: C9H7NO3
Average molar mass: 177.16 g/mol
Monoisotopic mass: 177.04259308

Names & identifiers

Preferred name: 6-Nitroindan-1-one
IUPAC: 6-nitro-2,3-dihydroinden-1-one
English name: 6-NITROINDANONE
Molecular formula: C9H7NO3
Molecular weight: 177.16

Names & synonyms

6-Nitroindan-1-oneEINECS 246-366-7DTXSID80179369NSC 225094RefChem:544098DTXCID60101860246-366-724623-24-36-Nitro-1-indanone6-nitro-2,3-dihydro-1H-inden-1-one6-NITROINDANONE6-nitro-2,3-dihydroinden-1-one

Show more names

6-nitro-1-indaone6-NITRO-INDAN-1-ONE6-Nitroindan-1-one 98%6-Nitro-1-indanone 98%

1H-INDEN-1-ONE, 2,3-DIHYDRO-6-NITRO-2,3-DIHYDRO-6-NITROINDEN-1-ONEMFCD066569031-Oxo-6-nitroindaneMWU6EZH8FZ2,3-Dihydro-6-nitro-1H-inden-1-oneUNII-MWU6EZH8FZCS-D1054

Database identifiers

CAS: 24623-24-3
PubChem CID: 90562
DTXSID: DTXSID80179369
UNII: MWU6EZH8FZ
EC Number: 246-366-7
Nikkaji: J286.359F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 71 · 71-73 °C
Boiling point: 332 · 332.0±31.0 °C(Predicted)
Density: 1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 24623 · 24623-24-3(CAS DataBase Reference)
FDA UNII: 6 EZH8FZ · MWU6EZH8FZ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-40
Safety Statements: 26 · 26-36/37/39-45-36/37
HazardClass: IRRITANT
HS Code: 2914390090 · 2914390090

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, P317, 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.