5-Bromo-4-chloro-3-indolyl caprylate

Base Information

• Chemical Name: 5-Bromo-4-chloro-3-indolyl caprylate
• CAS No.: 129541-42-0
• Molecular Formula: C16H19BrClNO2
• Molecular Weight: 372.68
• Hs Code.: 2933990090
• European Community (EC) Number: 806-317-8
• DSSTox Substance ID: DTXSID10394649
• Nikkaji Number: J2.651.786I
• Wikidata: Q27145352
• Mol file: 129541-42-0.mol

Synonyms:5-Bromo-4-chloro-3-indolyl caprylate;129541-42-0;(5-bromo-4-chloro-1H-indol-3-yl) Octanoate;5-Bromo-4-chloro-3-indolyl octanoate;5-Bromo-4-chloro-3-indoxyl caprylate;Octanoic acid,5-bromo-4-chloro-1H-indol-3-yl ester;5-bromo-4-chloro-1H-indol-3-yl octanoate;5-bromo-4-chloroindoxyl caprylate;SCHEMBL1122026;CHEBI:75498;DTXSID10394649;5-bromo-4-chloroindoxyl octanoate;AMY41446;MFCD00083263;AKOS015914462;FD10129;AC-37048;AS-68734;FT-0660581;B-7100;5-Bromo-4-chloro-3-indolyl octanoate, >=98%;A888845;Octanoic acid 5-bromo-4-chloro-1H-indole-3-yl ester;Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester;Q27145352

Chemical Property of 5-Bromo-4-chloro-3-indolyl caprylate

Chemical Property:

• Appearance/Colour: white to off-white crystalline
• Vapor Pressure: 1.8E-09mmHg at 25°C
• Melting Point: 55-59oC
• Refractive Index: 1.592
• Boiling Point: 482.6 °C at 760 mmHg
• PKA: 13.70±0.30(Predicted)
• Flash Point: 245.7 °C
• PSA: 42.09000
• Density: 1.397 g/cm³
• LogP: 5.84970
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 371.02877
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

98%, ^*data from raw suppliers

5-Bromo-4-chloro-3-indolylcaprylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl