Basic information
- CAS
87-83-2- Standard SMILES
Cc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
OZHJEQVYCBTHJT-UHFFFAOYSA-N- Molecular formula
- C7H3Br5
- Average molar mass
- 486.62 g/mol
- Monoisotopic mass
- 481.61516
Overview
Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)
Names & identifiers
- Preferred name
- Pentabromotoluene
- IUPAC
- 1,2,3,4,5-pentabromo-6-methylbenzene
- English name
- 2,3,4,5,6-Pentabromotoluene
- Molecular formula
- C7H3Br5
- Molecular weight
- 486.62
Names & synonyms
2,3,4,5,6-PENTABROMOTOLUENEPentabromotoluene87-83-2Flammex 5btPentabromomethylbenzene1,2,3,4,5-Pentabromo-6-methylbenzeneBenzene, pentabromomethyl-Toluene, 2,3,4,5,6-pentabromo-DTXSID302583387007N97G5Benzene, 1,2,3,4,5-pentabromo-6-methyl-2,3,4,5,6-PENTABROMOMETHYLBENZENE
Show more names
2,3,4,5,6-Pentabromotoluene 98%Flamex 5BT2,3,4,5,6-PENTABROMO1,2,3,4,5-PENTABROMOTOLUENE2,3,4,5,6-PENTABROMTOLUOL 99%2,3,4,5,6-Pentabromotoluene>
RefChem:441624DTXCID205833201-774-4MFCD00000060Benzene, methyl-, pentabromo deriv.26101-97-387-83-2; 26101-97-3(replacedby87-83-2)C7H3Br5
Database identifiers
- CAS
87-83-2- PubChem CID
- 6906
- DTXSID
DTXSID3025833- UNII
- 87007N97G5
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
Density2.97 at 63 °F (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (<1 mg/ml) (NTP, 1992)
Melting Point550 °F (NTP, 1992)
Vapor Pressure0.0000108 [mmHg]
Physical Description
Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)
Colorless solid; [CAMEO] White solid; [MSDSonline]
Physicochemical properties
- Melting point
- 285 · 285-286 °C(lit.)
- Boiling point
- 356.78 °C · 356.78°C (rough estimate)
- Density
- 3.0088 · 3.0088 (rough estimate)
- refractive index
- 1.6303 · 1.6303 (estimate)
- storage temp.
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
Regulatory Information
Chemical: Benzene, pentabromomethyl-
Hazard Traits - Developmental Toxicity
Fire HazardsFlammability data for this compound is not available but it is probably nonflammable. (NTP, 1992)
Hazards SummaryCauses other changes to liver/kidneys, normocytic anemia, and changes in thyroid weight in feeding studies of rats; [RTECS] An irritant; [MSDSonline]
Reactive GroupAryl Halides
Reactivity Profile
Simple aromatic halogenated organic compounds are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
Absorption, Distribution and Excretion
ADMIN TO JUVENILE ATLANTIC SALMON (SALMO SALAR) IN WATER & FOOD BROMINATED TOLUENES HAVE RELATIVELY LOW ACCUMULATION COEFFICIENTS.
FOLLOWING EXPOSURE OF SALMON TO PENTABROMOTOLUENE FOR 48 HR & THEN PLACED IN CLEAN WATER CONCN IN FISH TISSUE DECR EXPONENTIALLY & WAS 2-3 TIMES MORE PERSISTENT THAN CHLORINATED DIPHENYL ETHERS.
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,3,4,5-pentabromo-6-methyl-: ACTIVE
Applications
UsesPentabromotoluene (PBT) is part of the group of Brominated and Chlorinated Flame Retardants. It is used a fire retardant in textiles, polyester resins, and paint emulsions (Mattsson et al., 1975).
Uses2,3,4,5,6-Pentabromotoluene is a brominated flame retardant. It is considered as an air pollutant.
Upstream & downstream products
Upstream raw materials
Suppliers80 total
Related reactions
2 records
Compound notes
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