2,3,4,5,6-Pentabromobenzyl alcohol - CAS 79415-41-1

Catalog:	BB036342
Product Name:	2,3,4,5,6-Pentabromobenzyl alcohol
CAS:	79415-41-1
Synonyms:	(2,3,4,5,6-pentabromophenyl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,3,4,5,6-pentabromophenyl)methanol
Description:	2,3,4,5,6-Pentabromobenzyl alcohol (CAS# 79415-41-1) is used in the synthesis of precursor flame suppressing polymers.
Molecular Weight:	502.62
Molecular Formula:	C7H3Br5O
Canonical 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
MDL:	MFCD00192377
LogP:	4.99140

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2020141195-A1	Fluorine-containing compounds for use as nucleophilic reagents for transferring functional groups onto high value organic compounds	20190103
EP-2764071-A1	Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams	20111009
EP-2764071-B1	Flame retardants, processes for their preparation and uses thereof in polyurethane and polyisocyanurate foams	20111009

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	501.60598
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	497.61008
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5