Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-1H-indole-2-carbaldehyde |
EINECS | N/A |
CAS No. | 53590-50-4 | Density | 1.727 g/cm3 |
PSA | 32.86000 | LogP | 2.74290 |
Solubility | N/A | Melting Point |
178 °C |
Formula | C9H6BrNO | Boiling Point | 395.6°C at 760 mmHg |
Molecular Weight | 224.057 | Flash Point | 193°C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37-7/47 | Risk Codes | 36-20/21/22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1H-indole-2-carboxaldehyde,5-bromo-; |
Article Data | 15 |
The 5-Bromo-1H-indole-2-carbaldehyde with CAS registry number of 53590-50-4 is also called 1H-indole-2-carboxaldehyde,5-bromo-. In addition, the formula is C9H6BrNO and the molecular weight is 224.054. It has irritant.
Physical properties about this chemical are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 507; (8)ACD/KOC (pH 7.4): 507; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å2; (13)Index of Refraction: 1.752; (14)Molar Refractivity: 52.972 cm3; (15)Molar Volume: 129.722 cm3; (16)Polarizability: 21 ×10-24cm3; (17)Surface Tension: 63.551 dyne/cm; (18)Density: 1.727 g/cm3; (19)Flash Point: 193.022 °C; (20)Enthalpy of Vaporization: 64.573 kJ/mol; (21)Boiling Point: 395.55 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)cc([nH]2)C=O
(2)InChI: InChI=1/C9H6BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-5,11H
(3)InChIKey: CFABANPJKXPUFN-UHFFFAOYSA-N