4-Bromoindole-2-carboxylic acid ethyl ester supplier

Name
4-Bromoindole-2-carboxylic acid ethyl ester
EINECS
CAS No. 103858-52-2
Article Data11
CAS DataBase
Density 1.555 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀BrNO₂
Boiling Point 394.691 °C at 760 mmHg
Molecular Weight 268.11
Flash Point 192.503 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-1H-Indole-2-carboxylic acid ethylester;Indole-2-carboxylicacid, 4-bromo-, ethyl ester (6CI);4-Bromoindole-2-carboxylic acid ethyl ester;
PSA 42.09000
LogP 3.10710

4-Bromoindole-2-carboxylic acid ethyl ester Specification

The CAS registry number of 4-Bromoindole-2-carboxylic acid ethyl ester is 103858-52-2. This chemical's molecular formula is C₁₁H₁₀BrNO₂ and molecular weight is 268.11. Its systematic name is called ethyl 4-bromo-1H-indole-2-carboxylate.

Physical properties of 4-Bromoindole-2-carboxylic acid ethyl ester: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 517; (5)ACD/BCF (pH 7.4): 517; (6)ACD/KOC (pH 5.5): 3048; (7)ACD/KOC (pH 7.4): 3048; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 62.625 cm³; (13)Molar Volume: 172.456 cm³; (14)Surface Tension: 53.24 dyne/cm; (15)Density: 1.555 g/cm³; (16)Flash Point: 192.503 °C; (17)Enthalpy of Vaporization: 64.475 kJ/mol; (18)Boiling Point: 394.691 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c2cc1c(cccc1Br)n2
(2)InChI: InChI=1/C11H10BrNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
(3)InChIKey: KNPDUPLMXYEJAU-UHFFFAOYAI

Product Name

4-Bromoindole-2-carboxylic acid ethyl ester

4-Bromoindole-2-carboxylic acid ethyl ester Specification

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