Basic information
- CAS
39635-79-5- Standard SMILES
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1- InChIKey
JHJUYGMZIWDHMO-UHFFFAOYSA-N- Molecular formula
- C12H6Br4O4S
- Average molar mass
- 565.9 g/mol
- Monoisotopic mass
- 561.67203
Overview
halogenated flame retardant
Names & identifiers
- Preferred name
- Tetrabromobisphenol S
- IUPAC
- 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol
- English name
- 4,4'-Sulfonylbis(2,6-dibromophenol)
- Molecular formula
- C12H6Br4O4S
- Molecular weight
- 565.85
Names & synonyms
39635-79-54,4'-Sulphonylbis(2,6-dibromophenol)Tetrabromobisphenol SPhenol, 4,4'-sulfonylbis[2,6-dibromo-4,4'-Sulphonylbis[2,6-dibromophenol]Phenol, 4,4'-sulfonylbis(2,6-dibromo-DTXSID0052708TBBPSRefChem:861159DTXCID4031302254-551-94,4'-Sulfonylbis(2,6-dibromophenol)
Show more names
3,3,5,5-TetrabromobisphenolS3,3,5,5-TetrabromoBisphenol-S3,3',5,5'-Tetrabromobisphenol S, techn4,4''-SULFONYLBIS[2,6-DIBROMO-PHENO,95%Bis(4-hydroxy-3,5-dibromophenyl) sulfone2,6-dibromo-4-(4-hydroxyphenyl)sulfonylphenolTetrabromobisphenol S@50 μg/mL in Acetonitrile
MFCD000457412,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenolF0118-0005C12H6Br4O4SCBDivE_002597EINECS 254-551-9TBBP-SCBDivE_005724
Database identifiers
- CAS
39635-79-5
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 539.4 · 539.4±50.0 °C(Predicted)
- Density
- 2.363 · 2.363±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 3.53 · 3.53±0.25(Predicted)
- color
- Off-White to Pale Beige
- Henry's Law Constant
- 1.5 · 1.5×1011 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stability
- Light sensitive
- InChI
- InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
- InChIKey
- JHJUYGMZIWDHMO-UHFFFAOYSA-N
- SMILES
- S(C1=CC(Br)=C(O)C(Br)=C1)(C1=CC(Br)=C(O)C(Br)=C1)(=O)=O
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3152
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 9
- packing_group
- II
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationMaterials applied to fabrics, bedding, furniture, plastics, etc. to retard their burning; many may leach out and cause allergies or other harm.
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-sulfonylbis[2,6-dibromo-: INACTIVE
Applications
Uses4,4'-sulphonylbis(2,6-dibromophenol) is reactive flame retardant, used in epoxy resin, polycarbonate resin, polyester, phenolic resin, polysulfone, polyether sulfone, can also be used as additive of ABS. HIPS unsaturated polyesters, adhesives, coatings, etc., also used as the intermediate of organic synthesis. Characteristics are high efficient flame retardant, and strong heat resistance .
Upstream & downstream products
Upstream raw materials
Suppliers98 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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