2,4,6-Tribromophenyl acrylate
Basic information
- CAS
3741-77-3- Standard SMILES
C=CC(=O)Oc1c(Br)cc(Br)cc1Br- InChIKey
CNLVUQQHXLTOTC-UHFFFAOYSA-N- Molecular formula
- C9H5Br3O2
- Average molar mass
- 384.85 g/mol
- Monoisotopic mass
- 381.78397
Names & identifiers
- Preferred name
- 2,4,6-Tribromophenyl acrylate
- IUPAC
- (2,4,6-tribromophenyl) prop-2-enoate
- English name
- 2,4,6-Tribromophenyl acrylate
- Molecular formula
- C9H5Br3O2
- Molecular weight
- 384.85
Names & synonyms
2,4,6-Tribromophenyl acrylate2-Propenoic acid, 2,4,6-tribromophenyl esterEINECS 223-132-2DTXSID5063158RefChem:82084DTXCID8039328223-132-23741-77-3(2,4,6-tribromophenyl) prop-2-enoate2,4,6-TribromophenylacrylateMFCD00078430Acrylic Acid 2,4,6-Tribromophenyl Ester
Show more names
2,4,6-TribromophenyLTRIBROMOPHENYL ACRYLATETRIBROMOPHENYL ACRYLATE (TBPA)2.4.6-TRIBROMOPHENYL ACRYLATE 99%2,4,6-Tribromophenyl 2-propenoate2,4,6-Tribromophenyl Acrylate,>98%2,4,6-TribroMophenyl acrylate acrylate
2,4,6-tribromophenyl prop-2-enoate2,4,6-tribro-mophenyl acrylate2,4,6-Tribromophenyl acrylate, 99%FD14062T3130C9H5Br3O2FT-0635000A823640
Database identifiers
- CAS
3741-77-3- PubChem CID
- 77343
- DTXSID
DTXSID5063158- EC Number
- 223-132-2
- Nikkaji
- J60.220E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 76 to · 76.0 to 80.0 °C
- Boiling point
- 380.8 · 380.8±42.0 °C(Predicted)
- Density
- 2.055 · 2.055±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystaline
- color
- White to Almost white
- InChI
- InChI=1S/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2
- InChIKey
- CNLVUQQHXLTOTC-UHFFFAOYSA-N
- SMILES
- C(OC1=C(Br)C=C(Br)C=C1Br)(=O)C=C
- CAS DataBase Reference
- 3741 · 3741-77-3(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2,4,6-Tribromophenyl acrylate (3741-77-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2916.12.1000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2,4,6-tribromophenyl ester: ACTIVE
Applications
Uses2,4,6-Tribromophenyl acrylate is a new type of reactive flame retardant that can be used in plastics, adhesives, coatings, fiber plasticizers, etc.
Suppliers
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Related reactions
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Compound notes
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