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
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.
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 |
