5-Nitroindole-3-acetonitrile supplier

Name
5-NITRO-3-INDOLYLACETONITRILE
EINECS
CAS No. 6952-13-2
Article Data7
CAS DataBase
Density 1.437 g/cm³
Solubility
Melting Point 187-189 °C
Formula C₁₀H₇N₃O₂
Boiling Point 470.7 °C at 760 mmHg
Molecular Weight 201.184
Flash Point 238.5 °C
Transport Information
Appearance Yellow Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-acetonitrile,5-nitro- (6CI,7CI);(5-Nitro-1H-indol-3-yl)acetonitrile;5-Nitro-3-indoleacetonitrile;NSC 63021;
PSA 85.40000
LogP 2.66538

5-Nitroindole-3-acetonitrile Specification

The CAS register number of 1H-Indole-3-acetonitrile,5-nitro- is 6952-13-2. It also can be called as (5-Nitro-1H-indol-3-yl)acetonitrile and the IUPAC name about this chemical is 2-(5-nitro-1H-indol-3-yl)acetonitrile. The molecular formula about this chemical is C₁₀H₇N₃O₂and the molecular weight is 201.18. It belongs to the following product categories which include Heterocyclic Compounds; Heterocycles; Indole Derivatives and so on.

Physical properties about 1H-Indole-3-acetonitrile,5-nitro- are: (1)ACD/LogP: 1.76; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 74.54Å²; (6)Index of Refraction: 1.707; (7)Molar Refractivity: 54.53 cm³; (8)Molar Volume: 139.9 cm³; (9)Polarizability: 21.62x10^-24cm³; (10)Surface Tension: 74.5 dyne/cm; (11)Flash Point: 238.5 °C; (12)Enthalpy of Vaporization: 73.33 kJ/mol; (13)Boiling Point: 470.7 °C at 760 mmHg; (14)Vapour Pressure: 4.96E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)ncc2CC#N
(2)InChI: InChI=1/C10H7N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3H2
(3)InChIKey: BAYBZUUQTBZGPJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H7N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3H2
(5)Std. InChIKey: BAYBZUUQTBZGPJ-UHFFFAOYSA-N

Product Name

5-NITRO-3-INDOLYLACETONITRILE

5-Nitroindole-3-acetonitrile Specification

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