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Cas Database |
| Name |
5-Nitroisatin |
EINECS | 210-252-5 |
| CAS No. | 611-09-6 | Density | 1.609 g/cm3 |
| PSA | 91.99000 | LogP | 1.39080 |
| Solubility | N/A | Melting Point |
251 °C (dec.)(lit.) |
| Formula | C8H4N2O4 | Boiling Point | 328.09°C (rough estimate) |
| Molecular Weight | 192.131 | Flash Point | N/A |
| Transport Information | N/A | Appearance | orange-yellow to orange crystalline powder |
| Safety | 7-22-36/37/39-45-36/37 | Risk Codes | 20/21/22-40-68-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Indole-2,3-dione,5-nitro- (8CI);Isatin, 5-nitro- (6CI);5-Nitro-1H-indole-2,3-dione;5-Nitro-2,3-indolinedione;5-Nitroindole-2,3-dione;1H-Indole-2,3-dione,5-nitro-;5-Nitrosotin;NSC 525798; |
Article Data | 64 |
5-Nitroisatin Chemical Properties
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
5-Nitroisatin Safety Profile
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 Specification
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.
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