2,3,4,5,6-Pentabromobenzyl alcohol
Product Information
Molecular Formula
C7H3Br5O
Molecular Weight
502.62
Description
2,3,4,5,6-Pentabromobenzyl alcohol (CAS# 79415-41-1) is used in the synthesis of precursor flame suppressing polymers.
Synonyms
(2,3,4,5,6-pentabromophenyl)methanol
IUPAC Name
(2,3,4,5,6-pentabromophenyl)methanol
SMILES
C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
InChI
InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChI Key
KKWHDMUCBWSKGL-UHFFFAOYSA-N
Boiling Point
473.8 °C at 760 mmHg
Purity
> 98.0 % (GC)
Density
2.729 g/cm3
Solubility
Other solvents(Soluble) : Pyridine
LogP
4.99140
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
4.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
501.60598 g/mol
Monoisotopic Mass
497.61008 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 2019-12-04 |
| WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 2019-12-04 |
| WO-2020141195-A1 | Fluorine-containing compounds for use as nucleophilic reagents for transferring functional groups onto high value organic compounds | 2019-01-03 |
| EP-3906230-A1 | Fluorine-containing compounds for use as nucleophilic reagents for transferring functional groups onto high value organic compounds | 2019-01-03 |
| EP-2764071-A1 | Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams | 2011-10-09 |
| EP-2764071-B1 | Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams | 2011-10-09 |
| US-2014303271-A1 | Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams | 2011-10-09 |
| US-9309377-B2 | Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams | 2011-10-09 |
| WO-2013054325-A1 | Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams | 2011-10-09 |
| DE-202009016522-U1 | Infiltrant for the treatment of an enamel lesion | 2009-11-24 |
