4-bromo-1-(tert-butyldimethylsilyl)-1H-indole

• ChemBase ID: 64137
• Molecular Formular: C14H20BrNSi
• Molecular Mass: 310.3048
• Monoisotopic Mass: 309.05483818
• SMILES: n1(c2c(cc1)c(Br)ccc2)[Si](C(C)(C)C)(C)C
• Canonical SMILES: Brc1cccc2c1ccn2[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H20BrNSi/c1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16/h6-10H,1-5H3
• InChIKey: LTHHTJMKYUPWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-(tert-butyldimethylsilyl)-1H-indole
• IUPAC Traditional name: 4-bromo-1-(tert-butyldimethylsilyl)indole
• Synonyms: 4-Bromo-1-(tert-butyldimethylsilyl)-1H-indole 98%; 4-Bromo-1-(tert-butyldimethylsilyl)indole; 4-BroMo-1-(tert-butyldiMethylsilyl)-1H-indole

Database IDs

• CAS Number: 193694-04-1
• MDL Number: MFCD07787363
• PubChem SID: 162029876
• PubChem CID: 2763236

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8419
• LogD (pH = 7.4): 4.8419
• Log P: 4.8419
• Molar Refractivity: 76.4405 cm^3
• Polarizability: 32.164806 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%; 98+%