1-Boc-4-nitroindole supplier | CasNO.913836-24-5

Name
1-Boc-4-nitroindole
EINECS
CAS No. 913836-24-5
Article Data3
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 91-94 °C
Formula C₁₃H₁₄N₂O₄
Boiling Point 395.3 °C at 760 mmHg
Molecular Weight 262.26
Flash Point 192.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Boc-4-nitroindole;4-Nitroindole, N-BOC protected 97%;tert-Butyl 4-nitro-1H-indole-1-carboxylate;
PSA 77.05000
LogP 3.85590

1-Boc-4-nitroindole Specification

The 1-Boc-4-nitroindole with the CAS number 913836-24-5 is also called 1H-Indole-1-carboxylicacid, 4-nitro-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-nitroindole-1-carboxylate. Its molecular formula is C₁₃H₁₄N₂O₄. This chemical belongs to the following product categories: (1)Blocks; (2)IndolesOxindoles; (3)Indole. It is irritant. While using this chemical, you should be very cautious.

The properties of the 1-Boc-4-nitroindole are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59 ; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 77.05 Å²; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 69.19 cm³; (11)Molar Volume: 207.5 cm³; (12)Polarizability: 27.42×10^-24cm³; (13)Surface Tension: 46.9 dyne/cm; (14)Enthalpy of Vaporization: 64.54 kJ/mol; (15)Vapour Pressure: 1.86×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)n1ccc2c1cccc2[N+](=O)[O-]
(2)InChI: InChI=1/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3
(3)InChIKey: UKMLUDGMHPZXGN-UHFFFAOYAM

Product Name

1-Boc-4-nitroindole

1-Boc-4-nitroindole Specification

Related Products

Hot Products