5-Nitro-2,3,3-trimethylindolenine supplier

Name
5-Nitro-2,3,3-trimethylindolenine
EINECS 1806241-263-5
CAS No. 3484-22-8
Article Data26
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 130-131 °C(Solv: ethanol (64-17-5))
Formula C₁₁H₁₂N₂O₂
Boiling Point 315.7ºC at 760 mmHg
Molecular Weight 204.228
Flash Point 144.7 ºC
Transport Information
Appearance Crystals or crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,3-Trimethyl-5-nitro-3H-indole;2,3,3-Trimethyl-5-nitroindolenine;5-Nitro-2,3,3-trimethyl-3H-indole;5-Nitro-2,3,3-trimethylindole;NSC 131893;
PSA
LogP

5-Nitro-2,3,3-trimethylindolenine Specification

The 3H-Indole,2,3,3-trimethyl-5-nitro-, with the CAS registry number 3484-22-8, is also known as 5-Nitro-2,3,3-trimethylindolenine. This chemical's molecular formula is C₁₁H₁₂N₂O₂ and molecular weight is 204.23. What's more, its systematic name is 2,3,3-Trimethyl-5-nitro-3H-indole. Its classification code is TSCA Flag P. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place.

Physical properties of 3H-Indole,2,3,3-trimethyl-5-nitro- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.13; (6)ACD/BCF (pH 7.4): 8.17; (7)ACD/KOC (pH 5.5): 155.76; (8)ACD/KOC (pH 7.4): 156.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.18 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 56.83 cm³; (15)Molar Volume: 165.4 cm³; (16)Polarizability: 22.52×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 144.7 °C; (20)Enthalpy of Vaporization: 53.48 kJ/mol; (21)Boiling Point: 315.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000798 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=C(C1(C)C)C=C(C=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C11H12N2O2/c1-7-11(2,3)9-6-8(13(14)15)4-5-10(9)12-7/h4-6H,1-3H3
(3)InChIKey: DDORSJSRAREODY-UHFFFAOYSA-N

Product Name

5-Nitro-2,3,3-trimethylindolenine

5-Nitro-2,3,3-trimethylindolenine Specification

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