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Tetrabromobisphenol A bis(2,3-dibromopropyl ether)

HCID 62753
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Basic information

CAS
21850-44-2
Standard SMILES
CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N
Molecular formula
C21H20Br8O2
Average molar mass
943.6 g/mol
Monoisotopic mass
935.49303

Names & identifiers

Preferred name
Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
IUPAC
1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
English name
Tetrabromobisphenol A bis(dibromopropyl ether)
Molecular formula
C21H20Br8O2
Molecular weight
943.61

Names & synonyms

21850-44-22,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propaneBis(2,3-dibromopropoxy)tetrabromobisphenol ATetrabromobisphenol A bis(2,3-dibromopropyl) etherTBBPA-DBPETetrabromobisphenol A bis(2,3-dibromopropyl ether)YH2252CV631,1'-(Isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]PROPANE, 2,2-BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)-EINECS 244-617-5Benzene, 1,1'-(1-methylethylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy)-2,2-BIS(4-(2,3-DIBROMOPROPYLOXY)-3,5-DIBROMOPHENYL)PROPANE
Show more names
BDDPOcta etherJADEWIN BDDPOctabromoethertetrabromo-bisphenol-a-bis(2,3-dibromopropaneether)FG-3100BTBPE-MeDXFR? 900bromkal 66-8
3,3',5,5'-TETRABROMOBISPHENOL A BIS(2,3-DIBROMOPROPYL) ETHERtetrabromobisphenol a 2,3-dibromopropyl ether1,1'-(1-Methylethylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy))benzeneEC 244-617-52,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl]propane1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)2,2-BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)PROPANE2,2-BIS(4-(2,3-DIBROMOPROPOXY)-3,5-DIBROMOPHENYL)PROPANE

Database identifiers

CAS
21850-44-2
PubChem CID
62753
DTXSID
DTXSID3032129
ChEMBL
CHEMBL1314089
UNII
YH2252CV63
EC Number
244-617-5
Nikkaji
J39.712A

Properties

Computed structural properties

XLogP
10.6
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
31
Formal charge
0
Complexity
472

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> Flame retardants

Plastics -> N.a.

Flame RetardantsFlame retardants
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; CBI

Physicochemical properties

Melting point
117 °C · 117°C
Boiling point
676.5 · 676.5±55.0 °C(Predicted)
Density
2.169 · 2.169±0.06 g/cm3(Predicted)
vapor pressure
0.029 Pa · 0.029Pa at 20℃
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Solid
color
White

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (51 of 51) of all reports.

Not Classified

Aggregated GHS information provided per 51 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 6 items

Chemical: Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-

Hazard Traits - Endocrine Toxicity

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- 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)

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

REACH registered substance: 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene] (EC: 244-617-5)

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationPEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
ridadr
3152
hs_code
29093090
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesFlame retardant
Industry UsesFlame retardant
Use Classification · 2 items

Plastics -> Flame retardants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2 items

Custom Compounding of Purchased Resins

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: ACTIVE

Applications · 3 items

DescriptionTetrabromobisphenol A bis(2,3-dibromopropyl) ether is part of the group of Brominated and Chlorinated Flame Retardants. FR-50 is a flame retardant containing both aromatic and aliphatic bromine. It's is designed for use in polyolefin and styrenic resins, providing a UL94 V-2 rating. It can also be applied to polypropylene, to reach a V-0 rating.

UsesBis(2,3-dibromopropoxy)tetrabromobisphenol A is a the DBP-based flame retardant for polyolefins and polymers, including PP, high-density polyethylene (HDPE), and low-density polyethylene (LDPE). Bis(2 ,3-dibromopropoxy)tetrabromobisphenol A is also used in fabricated plastic sheet materials for application in the formation of a part of many electrical cabinets.

Usestetrabromobisphenol A bis(dibromopropyl ether),OBE, is an additive brominated flame retardants, can be widely used in polyolefin (pp), high impact polystyrene (HIPS) and ABS and other products.

Upstream & downstream products

Upstream raw materials

EthanolTetrabromobisphenol A

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Water Solubility
144 ng/L · 144ng/L at 20℃
Henry's Law Constant
2.4 · 2.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3
InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N
SMILES
C(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)(C)C
LogP
7.2 · 7.2
CAS DataBase Reference
21850 · 21850-44-2(CAS DataBase Reference)
FDA UNII
2252 CV63 · YH2252CV63
EPA Substance Registry System
Tetrabromobisphenol A bis(2,3-dibromopropyl) ether (21850-44-2)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
RIDADR
3152 · 3152
TSCA
TSCA listed
HazardClass
9 · 9
PackingGroup
II
HS Code
29093090 · 29093090
REACH Registrations
Active
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
hazard_class
9
packing_group
II
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Bromine