7-Bromo-5-nitroindole supplier

Name
7-BROMO-5-NITROINDOLE
EINECS
CAS No. 87240-07-1
Article Data3
CAS DataBase
Density 1.855 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O₂
Boiling Point 402.3 °C at 760 mmHg
Molecular Weight 241.044
Flash Point 197.1 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 7-BROMO-5-NITROINDOLE
PSA 61.61000
LogP 3.36180

7-Bromo-5-nitroindole Specification

The 7-Bromo-5-nitroindole, with CAS registry number 87240-07-1, has the systematic name of 7-bromo-5-nitro-1H-indole. Besides this, it is also called 1H-Indole, 7-bromo-5-nitro-. Its molecular weight is 241.0415. And the chemical formula of this chemical is C₈H₅BrN₂O₂.

Physical properties of 7-Bromo-5-nitroindole: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.54; (6)ACD/BCF (pH 7.4): 135.54; (7)ACD/KOC (pH 5.5): 1168.81; (8)ACD/KOC (pH 7.4): 1168.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.75 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 52.76 cm³; (15)Molar Volume: 129.8 cm³; (16)Polarizability: 20.91×10^-24cm³; (17)Surface Tension: 70.7 dyne/cm; (18)Density: 1.855 g/cm³; (19)Flash Point: 197.1 °C; (20)Enthalpy of Vaporization: 62.8 kJ/mol; (21)Boiling Point: 402.3 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(c(Br)c1)ncc2
(2)InChI: InChI=1/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H
(3)InChIKey: XXJOZTUJVYCOMP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H
(5)Std. InChIKey: XXJOZTUJVYCOMP-UHFFFAOYSA-N

Product Name

7-BROMO-5-NITROINDOLE

7-Bromo-5-nitroindole Specification

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