6-Chloro-1H-indole-2-carbaldehyde supplier

Name
6-Chloro-1H-indole-2-carbaldehyde
EINECS
CAS No. 53590-59-3
Article Data11
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point
Formula C₉H₆ClNO
Boiling Point 373.394 °C at 760 mmHg
Molecular Weight 179.606
Flash Point 179.623 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indole-2-carboxaldehyde, 6-chloro-;
PSA 32.86000
LogP 2.63380

6-Chloro-1H-indole-2-carbaldehyde Specification

The CAS registry number of 6-Chloro-1H-indole-2-carbaldehyde is 53590-59-3. This chemical is also named as 1H-Indole-2-carboxaldehyde, 6-chloro-. In addition, its molecular formula is C₉H₆ClNO and molecular weight is 179.603. Its systematic name is called 6-chloro-1H-indole-2-carbaldehyde.

Physical properties about 6-Chloro-1H-indole-2-carbaldehyde are: (1)ACD/LogP: 3.07; (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): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 356; (8)ACD/KOC (pH 7.4): 356; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 50.176 cm³; (14)Molar Volume: 125.488 cm³; (15)Surface Tension: 61.655 dyne/cm; (16)Density: 1.431 g/cm³; (17)Flash Point: 179.623 °C; (18)Enthalpy of Vaporization: 62.066 kJ/mol; (19)Boiling Point: 373.394 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2cc(C=O)nc2c
(2)InChI: InChI=1/C9H6ClNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
(3)InChIKey: GSSNKPINGXEIFI-UHFFFAOYAC

Product Name

6-Chloro-1H-indole-2-carbaldehyde

6-Chloro-1H-indole-2-carbaldehyde Specification

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