1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro- supplier

Name
3,3-DIMETHYL-6-NITROINDOLINE
EINECS
CAS No. 179898-72-7
Article Data18
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂N₂O₂
Boiling Point 301.731 °C at 760 mmHg
Molecular Weight 192.217
Flash Point 136.282 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole;3,3-Dimethyl-6-nitroindoline;
PSA 57.85000
LogP 2.95910

1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro- Specification

The 1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-, with the CAS registry number 179898-72-7, is also known as 3,3-Dimethyl-6-nitroindoline. This chemical's molecular formula is C₁₀H₁₂N₂O₂ and molecular weight is 192.2145. Its systematic name is called 3,3-dimethyl-6-nitro-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 102; (5)ACD/BCF (pH 7.4): 103; (6)ACD/KOC (pH 5.5): 953; (7)ACD/KOC (pH 7.4): 962; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 53.03 cm³; (13)Molar Volume: 164.814 cm³; (14)Surface Tension: 44.134 dyne/cm; (15)Density: 1.166 g/cm³; (16)Flash Point: 136.282 °C; (17)Enthalpy of Vaporization: 54.189 kJ/mol; (18)Boiling Point: 301.731 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc2c(c1)NCC2(C)C
(2)InChI: InChI=1/C10H12N2O2/c1-10(2)6-11-9-5-7(12(13)14)3-4-8(9)10/h3-5,11H,6H2,1-2H3
(3)InChIKey: OBRVKOVWGSBITQ-UHFFFAOYAD

Product Name

3,3-DIMETHYL-6-NITROINDOLINE

1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro- Specification

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