Ethyl 6-bromoindole-2-carboxylate supplier

Name
Ethyl 6-bromoindole-2-carboxylate
EINECS
CAS No. 103858-53-3
Article Data16
CAS DataBase
Density 1.554 g/cm³
Solubility
Melting Point 178-180 °C
Formula C₁₁H₁₀BrNO₂
Boiling Point 394.7 °C at 760 mmHg
Molecular Weight 268.11
Flash Point 192.5 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-2-carboxylicacid, 6-bromo-, ethyl ester (6CI);6-Bromo-1H-indole-2-carboxylic acid ethylester;6-Bromoindole-2-carboxylic acid ethyl ester;Ethyl6-bromo-2-indolecarboxylate;
PSA 42.09000
LogP 3.10710

Ethyl 6-bromoindole-2-carboxylate Specification

The IUPAC name of Ethyl 6-bromoindole-2-carboxylate is ethyl 6-bromo-1H-indole-2-carboxylate. With the CAS registry number 103858-53-3, it is also named as 6-Bromoindole-2-carboxylic acid ethyl ester. The product's categories are Indole / indoline / oxindole; Indoles. In addition, its molecular formula is C₁₁H₁₀BrNO₂ and its molecular weight is 268.11.

The other characteristics of Ethyl 6-bromoindole-2-carboxylate can be summarized as: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 517.14; (6)ACD/BCF (pH 7.4): 517.14; (7)ACD/KOC (pH 5.5): 3047.93; (8)ACD/KOC (pH 7.4): 3047.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 62.62 cm³; (15)Molar Volume: 172.4 cm³; (16)Polarizability: 24.82×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.554 g/cm³; (19)Flash Point: 192.5 °C; (20)Enthalpy of Vaporization: 64.47 kJ/mol; (21)Boiling Point: 394.7 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccc2c(c1)nc(c2)C(=O)OCC
(2)InChI: InChI=1/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
(3)InChIKey: FVMZWWFKRMBNSZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
(5)Std. InChIKey: FVMZWWFKRMBNSZ-UHFFFAOYSA-N

Product Name

Ethyl 6-bromoindole-2-carboxylate

Ethyl 6-bromoindole-2-carboxylate Specification

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