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| CAS No.: | 87240-07-1 |
|---|---|
| Name: | 7-BROMO-5-NITROINDOLE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H5BrN2O2 |
| Molecular Weight: | 241.044 |
| Synonyms: | 7-BROMO-5-NITROINDOLE |
| Density: | 1.855 g/cm3 |
| Boiling Point: | 402.3 °C at 760 mmHg |
| Flash Point: | 197.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 61.61000 |
| LogP: | 3.36180 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:24 Page 1 of 1 1
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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