Basic information
- CAS
3278-89-5- Standard SMILES
C=CCOc1c(Br)cc(Br)cc1Br- InChIKey
RZLLIOPGUFOWOD-UHFFFAOYSA-N- Molecular formula
- C9H7Br3O
- Average molar mass
- 370.86 g/mol
- Monoisotopic mass
- 367.8047
Overview
a flame retardant; structure in first source
Names & identifiers
- Preferred name
- Allyl 2,4,6-tribromophenyl ether
- IUPAC
- 1,3,5-tribromo-2-prop-2-enoxybenzene
- English name
- 2-Allyloxy-1,3,5-tribromobenzene
- Molecular formula
- C9H7Br3O
- Molecular weight
- 370.86
Names & synonyms
3278-89-5Allyl 2,4,6-tribromophenyl ether1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzeneEther, allyl 2,4,6-tribromophenylDTXSID3044918TBP-AENSC-357672QB5393K07DTXCID1024918allyl-2,4,6-tribromophenyl etherRefChem:412629221-913-2
Show more names
DXFR?301DXFR? 401TRIBROMOPHENYL ALLYL ETHERALLYL TRIBROMOPHENYL ETHER1-(Allyloxy)-2,3,4-tribromobenzeneAllyl 2,4,6-tribromophenyl ether 98%
2-ALLYLOXY-1,3,5-TRIBROMOBENZENE1,3,5-tribromo-2-prop-2-enoxybenzene2,4,6-tribromophenyl allyl ether1,3,5-Tribromo-2-(2-propen-1-yloxy)-benzene2,4,6-Tribromophenylallyl etherBenzene, 1,3,5-tribromo-2-(2-propenyloxy)-MFCD00017773NSC 35767
Database identifiers
- CAS
3278-89-5- PubChem CID
- 76767
- DTXSID
DTXSID3044918- ChEMBL
CHEMBL3188631
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLarge Crystals; Dry Powder
Physicochemical properties
- Melting point
- 74 · 74-76 °C (lit.)
- Boiling point
- 339.5 · 339.5±37.0 °C(Predicted)
- Density
- 1.95 · 1.950±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Beige
- Henry's Law Constant
- 3.8 · 3.8×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
- InChIKey
- RZLLIOPGUFOWOD-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(Br)=CC(Br)=C1OCC=C
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
This chemical does not meet GHS hazard criteria for 100% (17 of 17) of all reports.
Not Classified
Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Hazard Traits - Hazard Trait Undefined
Benzene, 1,3,5-tribromo-2-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-tribromo-2-(2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Benzene, 1,3,5-tribromo-2-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 500,000 - <1,000,000 lb
Consumer UsesFlame retardant
Industry UsesFlame retardant
General Manufacturing Information
Construction
Benzene, 1,3,5-tribromo-2-(2-propen-1-yloxy)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers39 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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