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| CAS No.: | 19727-83-4 |
|---|---|
| Name: | 6-Nitroindoline |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8N2O2 |
| Molecular Weight: | 164.164 |
| Synonyms: | Indoline,6-nitro- (6CI,8CI);6-Nitro-2,3-dihydro-1H-indole;NSC 80658; |
| EINECS: | 243-257-6 |
| Density: | 1.298 g/cm3 |
| Melting Point: | 67-69 °C(lit.) |
| Boiling Point: | 306.6 °C at 760 mmHg |
| Flash Point: | 139.3 °C |
| Appearance: | orange crystalline powder or red crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 57.85000 |
| LogP: | 2.22400 |
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Chemistry
IUPAC Name: 6-Nitro-2,3-dihydro-1H-indole
Synonyms of 6-Nitroindoline (CAS NO.19727-83-4): Indoline, 6-nitro- ; 1H-Indole, 2,3-dihydro-6-nitro- (9CI) ; 2,3-Dihydro-6-nitro-1H-indole
CAS NO: 19727-83-4
Molecular Formula: C8H8N2O2
Molecular Weight: 164.16
Molecular Structure: .gif)
EINECS: 243-257-6
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 49.06 Å2
Index of Refraction: 1.608
Molar Refractivity: 43.7 cm3
Molar Volume: 126.3 cm3
Surface Tension: 53.4 dyne/cm
Density: 1.298 g/cm3
Flash Point: 139.3 °C
Enthalpy of Vaporization: 54.72 kJ/mol
Boiling Point: 306.6 °C at 760 mmHg
Vapour Pressure: 0.000762 mmHg at 25°C
Melting Point: 67-69 °C(lit.)
Appearance: 6-Nitroindoline (CAS NO.19727-83-4) is orange crystalline powder or red crystals.
SMILES: [O-][N+](=O)c1ccc2c(c1)NCC2
InChI: InChI=1/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2
InChIKey: LTNYDSMDSLOMSM-UHFFFAOYAT
Std. InChI: InChI=1S/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2
Std. InChIKey: LTNYDSMDSLOMSM-UHFFFAOYSA-N
Product Categories: Indoles and derivatives;Building Blocks;Heterocyclic Building Blocks;Indoles
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX00607, |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: NM1950000
Hazard: Note Irritant
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store 6-Nitroindoline (CAS NO.19727-83-4) in a cool, dry place. Store in a tightly closed container.