Methyl 2-(2-bromo-1H-indol-3-yl)acetate supplier

Name
Methyl 2-(2-bromo-1H-indol-3-yl)acetate
EINECS
CAS No. 1912-35-2
Article Data8
CAS DataBase
Density 1.569 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀BrNO₂
Boiling Point 394.1 °C at 760 mmHg
Molecular Weight 268.11
Flash Point 192.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-aceticacid, 2-bromo-, methyl ester (7CI,8CI);1H-Indole-3-acetic acid, 2-bromo-, methyl ester;
PSA 42.09000
LogP 2.64590

Methyl 2-(2-bromo-1H-indol-3-yl)acetate Specification

The Methyl 2-(2-bromo-1H-indol-3-yl)acetate, with the CAS registry number 1912-35-2, is also called 1H-Indole-3-acetic acid, 2-bromo-, methyl ester. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₀BrNO₂.

The characteristics of Methyl 2-(2-bromo-1H-indol-3-yl)acetate are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 42.09 Å²; (9)Index of Refraction: 1.648; (10)Molar Refractivity: 62.17 cm³; (11)Molar Volume: 170.8 cm³; (12)Polarizability: 24.64×10^-24cm³; (13)Surface Tension: 53.6 dyne/cm; (14)Density: 1.569 g/cm³; (15)Flash Point: 192.2 °C; (16)Enthalpy of Vaporization: 64.41 kJ/mol; (17)Boiling Point: 394.1 °C at 760 mmHg; (18)Vapour Pressure: 2.03E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)Cc1c2ccccc2[nH]c1Br
(2)InChI: InChI=1/C11H10BrNO2/c1-15-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12/h2-5,13H,6H2,1H3
(3)InChIKey: PJILRCSPRGMWLW-UHFFFAOYAQ

Product Name

Methyl 2-(2-bromo-1H-indol-3-yl)acetate

Methyl 2-(2-bromo-1H-indol-3-yl)acetate Specification

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