5-Bromo-1H-indole-3-carboxylic acid methyl ester supplier

Name
5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
EINECS 221-862-6
CAS No. 773873-77-1
Article Data17
CAS DataBase
Density 1.629 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂
Boiling Point 386.2 °C at 760 mmHg
Molecular Weight 254.083
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-1H-indole-3-carboxylicacid methyl ester;5-Bromoindole-3-carboxylic acid methyl ester;methyl 5-bromo-1H-indole-3-carboxylate;1H-indole-3-carboxylic acid, 5-bromo-, methyl ester;Methyl 5-bromo-1H-indole-3-carboxylate;
PSA 42.09000
LogP 2.71700

5-Bromo-1H-indole-3-carboxylic acid methyl ester Specification

The 1H-Indole-3-carboxylicacid, 5-bromo-, methyl ester, with the CAS registry number 773873-77-1, has the systematic name of methyl 5-bromo-1H-indole-3-carboxylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₈BrNO₂.

The characteristics of 1H-1,2,4-Triazole-3-carboxylicacid, 5-chloro-, ethyl ester are as followings: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.666; (8)Molar Refractivity: 57.99 cm³; (9)Molar Volume: 155.9 cm³; (10)Polarizability: 22.9×10^-24cm³; (11)Surface Tension: 55.7 dyne/cm; (12)Density: 1.629 g/cm³; (13)Flash Point: 187.3 °C; (14)Enthalpy of Vaporization: 63.51 kJ/mol; (15)Boiling Point: 386.2 °C at 760 mmHg; (16)Vapour Pressure: 3.61E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2c(cc1)ncc2C(=O)OC
(2)InChI: InChI=1/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
(3)InChIKey: MFOKOKHNSVUKON-UHFFFAOYAC

Product Name

5-BROMO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

5-Bromo-1H-indole-3-carboxylic acid methyl ester Specification

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