tetrabromobisphenol A dimethyl ether
Basic information
- CAS
37853-61-5- Standard SMILES
COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC)c(Br)c2)cc1Br- InChIKey
XRQKNNNAKHZPSP-UHFFFAOYSA-N- Molecular formula
- C17H16Br4O2
- Average molar mass
- 571.9 g/mol
- Monoisotopic mass
- 567.78838
Overview
disrupts zebrafish (Danio rerio) development and matrix metalloproteinase expression; structure in first source
Names & identifiers
- Preferred name
- tetrabromobisphenol A dimethyl ether
- IUPAC
- 1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene
- English name
- Tetrabromobisphenol a dimethyl ether
- Molecular formula
- C17H16Br4O2
- Molecular weight
- 571.92
Names & synonyms
37853-61-5tetrabromobisphenol A dimethyl etherDTXSID10865889Benzene, 1,1'-(1-methylethylidene)bis(3,5-dibromo-4-methoxy-TBBPA DMERefChem:562170DTXCID20814247253-693-9Tetrabromobisphenol A bismethyl etherTetrabromobisphenol A-dimethyl ether1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene5,5'-(Propane-2,2-diyl)bis(1,3-dibromo-2-methoxybenZene)
Show more names
DIMETHYL TETRABROMOBISPHENOLTetrabromobisphenol Impurity 1Tetrabromobisphenol A Dimethyl Ether (>90%)3,3',5,5'-Tetrabromobisphenol A dimethyl ether
Tetrabromobisphenol BTBBPA dimethyl ether4,4'-(Isopropylidene)bis[2,6-dibromoanisole] mBenzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-methoxy-; 1,1'-(1-Methylethylidene)bis[3,5-dibromo-4-methoxybenzene]; 2,2-Bis(3,5-dibromo-4-methoxyphenyl)propane; Tetrabromobisphenol A dimethyl ether; Tetrabromobisphenol A methyl etherEINECS 253-693-9BISMETHYLETHEROFTETRABROMOBISPHENOL-A2,2-Bis(3,5-dibromo-4-methoxyphenyl)propane4,4'-Isopropylidenebis(2,6-dibromomethoxybenzene)
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 172 · 172-176°C
- Boiling point
- 468.4 · 468.4±45.0 °C(Predicted)
- Density
- 1.813 · 1.813±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White to Off-White
- EPA Substance Registry System
- Tetrabromobisphenol A bismethyl ether (37853-61-5)
- RIDADR
- 3152 · 3152
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationT - indicates a substance that is the subject of a final TSCA section 4 test rule.
Safety data
- tsca
- TSCA listed
- ridadr
- 3152
- hazard_class
- 9
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-methoxy-: ACTIVE
Applications
UsesTetrabromobisphenol A Dimethyl Ether is the microbial methylated byproduct of flame retardant Tetrabromobisphenol-A.
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Related reactions
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Compound notes
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