5-Nitroindoline

IUPAC Name: 5-Nitro-2,3-dihydro-1H-indole
Synonyms of 1H-Indole,2,3-dihydro-5-nitro- (CAS NO.32692-19-6): 5-Nitroindoline ; Indoline, 5-nitro- ; 2,3-Dihydro-5-nitro-(1H)-indole
CAS NO: 32692-19-6
Molecular Formula: C₈H₈N₂O₂
Molecular Weight: 164.16
Molecular Structure:
EINECS: 251-158-4
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: 150 °C
Enthalpy of Vaporization: 56.64 kJ/mol
Boiling Point: 324.4 °C at 760 mmHg
Vapour Pressure: 0.000246 mmHg at 25°C
Melting Point: 92-94 °C(lit.)
SMILES: [O-][N+](=O)c1cc2c(cc1)NCC2 Copy
InChI: InChI=1/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2 Copy
InChIKey: WJQWYAJTPPYORB-UHFFFAOYAY
Std. InChI: InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2 Copy
Std. InChIKey: WJQWYAJTPPYORB-UHFFFAOYSA-N
Product Categories of 1H-Indole,2,3-dihydro-5-nitro- (CAS NO.32692-19-6): Indoles and derivatives;Indoline & Oxindole;Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Indoles

Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: 1H-Indole,2,3-dihydro-5-nitro- (CAS NO.32692-19-6) is 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: NM1930000
Hazard Note: Irritant
HazardClass: IRRITANT