hexaphenylbenzene

• ChemBase ID: 110988
• Molecular Formular: C42H30
• Molecular Mass: 534.6876
• Monoisotopic Mass: 534.23475096
• SMILES: c1ccc(cc1)c1c(c2ccccc2)c(c2ccccc2)c(c2ccccc2)c(c2ccccc2)c1c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1c(c2ccccc2)c(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
• InChIKey: QBHWPVJPWQGYDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexaphenylbenzene
• IUPAC Traditional name: hexaphenylbenzene
• Synonyms: Hexaphenylbenzene; HEXAPHENYLBENZENE; 六苯基苯

Database IDs

• CAS Number: 992-04-1
• EC Number: 213-591-7
• MDL Number: MFCD00003057
• Beilstein Number: 1895903
• PubChem SID: 24848955; 162097034
• PubChem CID: 70432
• Chemspider ID: 63611
• Wikipedia Title: Hexaphenylbenzene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.856598
• LogD (pH = 7.4): 11.856598
• Log P: 11.856598
• Molar Refractivity: 176.8752 cm^3
• Polarizability: 77.334465 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; 454-456 °C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 98+%
• Linear Formula: C6(C6H5)6

DETAILS

MP Biomedicals - 05217334

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 149454

Frequently Asked Questions
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Packaging
1 g in glass bottle