1H-Indole-3-carboxaldehyde,6-nitro- supplier

Name
6-NITRO-1H-INDOLE-3-CARBALDEHYDE
EINECS
CAS No. 10553-13-6
Article Data17
CAS DataBase
Density 1.516 g/cm³
Solubility
Melting Point
Formula C₉H₆N₂O₃
Boiling Point 441.5 °C at 760 mmHg
Molecular Weight 190.158
Flash Point 220.8 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms 6-Nitroindole-3-carboxaldehyde;6-Nitroindole-3-carbaldehyde;6-Nitro-1H-indole-3-carbaldehyde;
PSA 78.68000
LogP 2.41180

1H-Indole-3-carboxaldehyde,6-nitro- Specification

The 1H-Indole-3-carboxaldehyde,6-nitro-, with the CAS registry number 10553-13-6, is also known as 6-Nitroindole-3-carboxaldehyde. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 190.16. What's more, its systematic name is 6-nitro-1H-indole-3-carbaldehyde.

Physical properties of 1H-Indole-3-carboxaldehyde,6-nitro- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.99; (6)ACD/BCF (pH 7.4): 6.99; (7)ACD/KOC (pH 5.5): 140.06; (8)ACD/KOC (pH 7.4): 140.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.82 Å²; (13)Index of Refraction: 1.764; (14)Molar Refractivity: 51.82 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 20.54×10^-24cm³; (17)Surface Tension: 76.8 dyne/cm; (18)Density: 1.516 g/cm³; (19)Flash Point: 220.8 °C; (20)Enthalpy of Vaporization: 69.88 kJ/mol; (21)Boiling Point: 441.5 °C at 760 mmHg; (22)Vapour Pressure: 5.43E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)ncc2C=O
(2)Std. InChI: InChI=1S/C9H6N2O3/c12-5-6-4-10-9-3-7(11(13)14)1-2-8(6)9/h1-5,10H
(3)Std. InChIKey: KYFZSGBVGJNEPN-UHFFFAOYSA-N

Product Name

6-NITRO-1H-INDOLE-3-CARBALDEHYDE

1H-Indole-3-carboxaldehyde,6-nitro- Specification

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