Pentabromobenzyl acrylate

Product Information

Molecular Formula:
C10H5Br5O2
Molecular Weight:
556.67
Description
Pentabromobenzyl acrylate (CAS# 59447-55-1) is a flame retardant and a standard for environmental testing and research.
Synonyms
(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate
IUPAC Name
(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate
Canonical SMILES
C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
InChI Key
GRKDVZMVHOLESV-UHFFFAOYSA-N
Boiling Point
477.7 °C
Melting Point
115-116 °C
Purity
95 %
Density
2.371 g/cm3
Appearance
White powder
Storage
0-10 °C
LogP
5.60340

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P264, P273, P280, P305+P351+P338, P337+P313, and P501
Signal Word
Warning

Computed Properties

XLogP3
5.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
555.61654 g/mol
Monoisotopic Mass
551.62064 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
282
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
CN-113956384-A Preparation method of efficient flame-retardant polystyrene resin 2021-11-12
CN-114015205-A Flame-retardant polyester composition and preparation method and application thereof 2021-10-27
CN-113817298-A Reinforced PBT (polybutylene terephthalate) composite material and preparation method thereof 2021-10-22
CN-113956621-A Flame-retardant PBT composition and preparation method and application thereof 2021-09-27
CN-113861651-A Polycarbonate composition and preparation method and application thereof 2021-08-20
KR-102329993-B1 Membrane structures with improved durability 2021-05-25
CN-113321862-A Plastic blended ultraviolet-resistant flame-retardant optical cable and preparation method thereof 2021-05-24
CN-113248874-A Modified TPEE cable material and preparation method thereof 2021-05-12
KR-102321348-B1 Fire-resistant expandable sleeve 2021-04-27
CN-113174000-A Preparation method of poly (pentabromobenzyl acrylate) with controllable molecular weight 2021-03-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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