5-Nitroisatin

Molecule structure of 5-Nitroisatin (CAS NO.611-09-6):

IUPAC Name: 5-Nitro-1H-indole-2,3-dione
Molecular Formula: C₈H₄N₂O₄
Molecular Weight: 192.13 g/mol
Melting Point: 251 °C (dec.)(lit.)
Molar Volume: 119.3 cm³      
Surface Tension: 72.2  Dyn/cm 
Density: 1.609 g/cm³ 
XLogP3: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Tautomer Count: 5
Exact Mass: 192.017107
MonoIsotopic Mass: 192.017107
Topological Polar Surface Area: 89.3
Heavy Atom Count: 14 
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
InChI: InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChIKey: UNMYHYODJHKLOC-UHFFFAOYSA-N
EINECS: 210-252-5
Product Categories: Indane/Indanone and Derivatives;Indoles;Simple Indoles;Building Blocks;Heterocyclic Building Blocks

Hazard Codes: Xn, Xi
Risk Statements: 20/21/22-40-68-22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect. 
R68:Possible risk of irreversible effects. 
R22:Harmful if swallowed.
Safety Statements: 7-22-36/37/39-45-36/37 
S7:Keep container tightly closed. 
S22:Do not breathe dust. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
RTECS: NL7970000
HazardClass: IRRITANT

 5-Nitroisatin (CAS NO.611-09-6) is also named as 5-21-10-00267 (Beilstein Handbook Reference) ; 5-Nitro-1H-indole-2,3-dione ; 5-Nitroindole-2,3-dione ; BRN 0180223 ; CCRIS 4031 ; Isatin, 5-nitro- (6CI) ; NSC 525798 ; 1H-Indole-2,3-dione, 5-nitro- (9CI) ; 2,3-Dihydro-5-nitroindole-2,3-dione ; Indole-2,3-dione, 5-nitro- . 5-Nitroisatin (CAS NO.611-09-6) is orange-yellow to orange crystalline powder.