tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate

Base Information

• Chemical Name: tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate
• CAS No.: 850349-72-3
• Molecular Formula: C13H13BrINO2
• Molecular Weight: 422.06
• Hs Code.: 2933990090
• European Community (EC) Number: 806-867-9
• DSSTox Substance ID: DTXSID20590135
• Nikkaji Number: J2.254.529I
• Wikidata: Q72448737
• Mol file: 850349-72-3.mol

Synonyms:850349-72-3;tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate;1-Boc-5-bromo-3-iodo-indole;tert-butyl 5-bromo-3-iodoindole-1-carboxylate;1-Boc-5-bromo-3-iodoindole;5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;5-BROMO-3-IODOINDOLE, N-BOC PROTECTED;MFCD05864761;1H-Indole-1-carboxylic acid, 5-bromo-3-iodo-, 1,1-dimethylethyl ester;tert-butyl 5-bromo-3-iodo-indole-1-carboxylate;SCHEMBL12615032;DTXSID20590135;MCFJOLCLHJYCDS-UHFFFAOYSA-N;1-Boc-5-bromo-3-iodo-1H-indole;BCP07601;AKOS015898532;SS-6022;SY288527;DB-015403;CS-0045064;5-Bromo-3-iodo-1H-indole, N-BOC protected;A841061;5-Bromo-3-iodo-indole-1-carboxylic acid tert-butyl ester

Chemical Property of tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 433.976 °C at 760 mmHg
• Flash Point: 216.261 °C
• PSA: 31.23000
• Density: 1.816 g/cm³
• LogP: 4.79160
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 420.91744
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99.3% ^*data from raw suppliers

1-Boc-5-bromo-3-iodo-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)I