hexakis(bromomethyl)benzene

• ChemBase ID: 151126
• Molecular Formular: C12H12Br6
• Molecular Mass: 635.64768
• Monoisotopic Mass: 629.60392238
• SMILES: C(c1c(c(c(c(c1CBr)CBr)CBr)CBr)CBr)Br
• Canonical SMILES: BrCc1c(CBr)c(CBr)c(c(c1CBr)CBr)CBr
• InChI: InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2
• InChIKey: XJOUCILNLRXRTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(bromomethyl)benzene
• IUPAC Traditional name: hexakis(bromomethyl)benzene
• Synonyms: Hexakis(bromomethyl)benzene; 六全溴甲基苯

Database IDs

• CAS Number: 3095-73-6
• EC Number: 221-443-8
• MDL Number: MFCD00182539
• PubChem SID: 162245284; 24864230
• PubChem CID: 76540

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.60967
• LogD (pH = 7.4): 6.60967
• Log P: 6.60967
• Molar Refractivity: 103.1604 cm^3
• Polarizability: 39.033234 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 295-297 °C(lit.); ca 292°C dec.

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 22-26-27-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C6(CH2Br)6

DETAILS

Sigma Aldrich - 388459

Packaging
5 g in glass bottle