Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Chloro-1H-indole-3-carbaldehyde |
EINECS | N/A |
CAS No. | 1008-07-7 | Density | 1.431 g/cm3 |
PSA | 32.86000 | LogP | 2.63380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6ClNO | Boiling Point | 373.4 °C at 760 mmHg |
Molecular Weight | 179.606 | Flash Point | 179.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Chloro-3-indolecarboxaldehyde;Indole-3-carboxaldehyde,7-chloro- (7CI,8CI);3-Formyl-7-chloro-1H-indole;7-Chloro-1H-indole-3-carboxaldehyde; |
Article Data | 12 |
The 1H-Indole-3-carboxaldehyde,7-chloro-, with the CAS registry number 1008-07-7, is also known as ZINC12375035. This chemical's molecular formula is C9H6ClNO and molecular weight is 179.60304. Its IUPAC name is called 7-chloro-1H-indole-3-carbaldehyde.
Physical properties of 1H-Indole-3-carboxaldehyde,7-chloro-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.59; (5)ACD/BCF (pH 7.4): 77.59; (6)ACD/KOC (pH 5.5): 784; (7)ACD/KOC (pH 7.4): 784; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.731; (12)Molar Refractivity: 50.17 cm3; (13)Molar Volume: 125.4 cm3; (14)Surface Tension: 61.6 dyne/cm; (15)Density: 1.431 g/cm3; (16)Flash Point: 179.6 °C; (17)Enthalpy of Vaporization: 62.07 kJ/mol; (18)Boiling Point: 373.4 °C at 760 mmHg; (19)Vapour Pressure: 8.99E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC=C2C=O
(2)InChI: InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
(3)InChIKey: NHJNOJSRXQVQRT-UHFFFAOYSA-N