5-Bromo-1H-indole-2-carbaldehyde supplier

Name
5-Bromo-1H-indole-2-carbaldehyde
EINECS
CAS No. 53590-50-4
Article Data15
CAS DataBase
Density 1.727 g/cm³
Solubility
Melting Point 178 °C
Formula C₉H₆BrNO
Boiling Point 395.6°C at 760 mmHg
Molecular Weight 224.057
Flash Point 193°C
Transport Information
Appearance
Safety 26-36/37-7/47
Risk Codes 36-20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-indole-2-carboxaldehyde,5-bromo-;
PSA 32.86000
LogP 2.74290

5-Bromo-1H-indole-2-carbaldehyde Specification

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

Product Name

5-Bromo-1H-indole-2-carbaldehyde

5-Bromo-1H-indole-2-carbaldehyde Specification

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