Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-2-carboxaldehyde, 5-chloro- |
EINECS | N/A |
CAS No. | 53590-49-1 | Density | 1.431 g/cm3 |
PSA | 32.86000 | LogP | 2.63380 |
Solubility | N/A | Melting Point |
204-206 °C |
Formula | C9H6ClNO | Boiling Point | 373.394 °C at 760 mmHg |
Molecular Weight | 179.606 | Flash Point | 179.623 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 36-20/21/22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-chloro-1H-indole-2-carbaldehyde; |
Article Data | 18 |
The CAS registry number of 1H-Indole-2-carboxaldehyde, 5-chloro- is 53590-49-1. This chemical's molecular formula is C9H6ClNO and molecular weight is 179.6. Its systematic name is called 5-chloro-1H-indole-2-carbaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Indole-2-carboxaldehyde, 5-chloro-: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 36; (5)ACD/BCF (pH 7.4): 36; (6)ACD/KOC (pH 5.5): 452; (7)ACD/KOC (pH 7.4): 452; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.732; (12)Molar Refractivity: 50.176 cm3; (13)Molar Volume: 125.488 cm3; (14)Surface Tension: 61.655 dyne/cm; (15)Density: 1.431 g/cm3; (16)Flash Point: 179.623 °C; (17)Enthalpy of Vaporization: 62.066 kJ/mol; (18)Boiling Point: 373.394 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2cc(C=O)nc2cc1
(2)InChI: InChI=1/C9H6ClNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-5,11H
(3)InChIKey: ZFWBIHAXMSSQOO-UHFFFAOYAE