Basic information
- CAS
59447-55-1- Standard SMILES
C=CC(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
GRKDVZMVHOLESV-UHFFFAOYSA-N- Molecular formula
- C10H5Br5O2
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 551.62064
Names & identifiers
- Preferred name
- 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester
- IUPAC
- (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate
- English name
- PENTABROMOBENZYL ACRYLATE
- Molecular formula
- C10H5Br5O2
- Molecular weight
- 556.67
Names & synonyms
Pentabromobenzyl acrylate(Pentabromophenyl)methyl acrylate2-Propenoic acid, (pentabromophenyl)methyl esterK55L5VE7PP2,3,4,5,6-pentabromobenzyl acrylate2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl esterDTXSID9052719EINECS 261-767-7EC 261-767-7RefChem:89219DTXCID303131159447-55-1
Show more names
PBB-MAPentabormobenzyl acrylatePerbromo(phenyl)methyl acrylatePentabromobenzylacrylate (Tech)Propenoic acid (pentabromophenyl)methyl ester
(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate(Perbromophenyl)methyl acrylateAcrylic Acid Pentabromobenzyl EsterC10H5Br5O2MFCD00804489(Pentabromophenyl)methyl prop-2-enoateMFCD22125222UNII-K55L5VE7PP
Database identifiers
- CAS
59447-55-1- PubChem CID
- 101059
- DTXSID
DTXSID9052719
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 115 · 115-116 °C (lit.)
- Boiling point
- 477.7 · 477.7±40.0 °C(Predicted)
- Density
- 2.371 · 2.371±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Yellow to Green
- Water Solubility
- 8.7 μg/L · 8.7μg/L at 20℃
- InChI
- 1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
- InChIKey
- GRKDVZMVHOLESV-UHFFFAOYSA-N
- SMILES
- Brc1c(Br)c(Br)c(COC(=O)C=C)c(Br)c1Br
- LogP
- 5.11 at · 5.11 at 20℃
- FDA UNII
- 55 L5VE7PP · K55L5VE7PP
- EPA Substance Registry System
- 2 · 2-Propenoic acid, (pentabromophenyl)methyl ester (59447-55-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, (pentabromophenyl)methyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (pentabromophenyl)methyl acrylate (EC: 261-767-7)
Hazard Classes and CategoriesEye Irrit. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2916.12.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester: ACTIVE
Applications
UsesPentabromobenzyl Acrylate is a flame retardant and a standard for environmental testing and research.
UsesPentabromobenzyl acrylate can form copolymers with styrene. Polymerization of the monomer in methyl ethyl ketone can yield novel, flame retardant nano/micro sized (0.06 ± 0.01 and 1.70 ± 0.23 μm) particles. Polyamide (PA6) treated with PMA and montorillonite (OMMT) has been described in a study.
General DescriptionThe oxygen index (OI) value of PMA is 29.7.
Suppliers41 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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