Ethyl 3-bromoindole-2-carboxylate supplier

Name
Ethyl 3-bromoindole-2-carboxylate
EINECS 200-589-5
CAS No. 91348-45-7
Article Data26
CAS DataBase
Density 1.554 g/cm³
Solubility
Melting Point 149-151 °C
Formula C₁₁H₁₀BrNO₂
Boiling Point 387.9 °C at 760 mmHg
Molecular Weight 268.11
Flash Point 188.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Indole-2-carboxylicacid, 3-bromo-, ethyl ester (6CI,7CI);3-Bromo-1H-indole-2-carboxylic acidethyl ester;3-Bromo-2-carbethoxyindole;Ethyl 3-Bromo-1H-indole-2-carboxylate;
PSA 42.09000
LogP 3.10710

Ethyl 3-bromoindole-2-carboxylate Specification

The IUPAC name of Ethyl 3-bromoindole-2-carboxylate is ethyl 3-bromo-1H-indole-2-carboxylate. With the CAS registry number 91348-45-7, it is also named as 3-Bromoindole-2-carboxylic acid ethyl ester. The product's categories are Indole / Indoline / Oxindole; Indoline & Oxindole. In addition, its molecular formula is C₁₁H₁₀BrNO₂ and its molecular weight is 268.11.

The other characteristics of Ethyl 3-bromoindole-2-carboxylate can be summarized as: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 247.11; (6)ACD/BCF (pH 7.4): 247.11; (7)ACD/KOC (pH 5.5): 1796.54; (8)ACD/KOC (pH 7.4): 1796.54; (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: 188.4 °C; (20)Melting Point: 149-151 °C; (21)Enthalpy of Vaporization: 63.71 kJ/mol; (22)Boiling Point: 387.9 °C at 760 mmHg; (23)Vapour Pressure: 3.18E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc2c1ccccc1nc2C(=O)OCC
(2)InChI: InChI=1/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
(3)InChIKey: DRJWEOYWZOGNQU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
(5)Std. InChIKey: DRJWEOYWZOGNQU-UHFFFAOYSA-N

Product Name

Ethyl 3-bromoindole-2-carboxylate

Ethyl 3-bromoindole-2-carboxylate Specification

Related Products

Hot Products