pentabromotoluene

Product Information

Molecular Formula:
C7H3Br5
Molecular Weight:
486.6207
Description
Pentabromotoluene is a colorless powder. Insoluble in water.
Synonyms
PENTABROMOTOLUENE; 2,3,4,5,6-PENTABROMOTOLUENE; 1,2,3,4,5-PENTABROMOTOLUENE; 2,3,4,5,6-PENTABROMTOLUOL 99%; 2,3,4,5,6-PENTABROMOTOLUENE 98+%; PENTABROMOMETHYLBENZENE; 1-Methyl-2,3,4,5,6-pentabromobenzene; Flamex 5BT
IUPAC Name
1,2,3,4,5-pentabromo-6-methylbenzene
Canonical SMILES
CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChI Key
OZHJEQVYCBTHJT-UHFFFAOYSA-N
Boiling Point
394.4ºC at 760 mmHg
Melting Point
285-286ºC(lit.)
Purity
95%
Density
2.607 g/cm3
Solubility
Insoluble (<1 mg/ml)
Appearance
slightly yellow crystalline powder
Vapor Pressure
0.0000108 [mmHg]

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
485.61106 g/mol
Monoisotopic Mass
481.61516 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
146
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022019868-A Polyurethane foam manufacturing method 2021-12-01
JP-2022019869-A Polyurethane foam manufacturing method 2021-12-01
JP-2022033116-A Refractory resin composition, refractory sheet and fittings 2021-11-25
CN-113956384-A Preparation method of efficient flame-retardant polystyrene resin 2021-11-12
CN-113717533-A Colored rubber product and manufacturing process thereof 2021-09-06
CN-113717676-A Flame-retardant hot melt adhesive, flame-retardant hot melt adhesive film and flexible wire rod 2021-08-25
CN-113372690-A Flame-retardant full-biodegradable plastic and preparation method and application thereof 2021-06-22
CN-113209536-A Perfluorohexanone emulsion fire extinguishing agent of composite fire retardant and preparation method thereof 2021-04-09
CN-113174000-A Preparation method of poly (pentabromobenzyl acrylate) with controllable molecular weight 2021-03-31
JP-6972401-B1 Flame Retardant Composition for Styrofoam Resin, Flame Retardant Styrofoam Resin Composition and Extruded Foaming Mold 2021-02-04

Literatures

PMID Publication Date Title Journal
23880106 2013-09-15 Comparative antioxidant status in freshwater fish Carassius auratus exposed to six current-use brominated flame retardants: a combined experimental and theoretical study Aquatic toxicology (Amsterdam, Netherlands)
22849422 2012-08-21 Bromobenzene flame retardants in the Great Lakes atmosphere Environmental science & technology
22376139 2012-03-20 Brominated flame retardants and dechlorane plus in the marine atmosphere from Southeast Asia toward Antarctica Environmental science & technology
22243889 2012-03-01 Brominated flame retardants in three terrestrial passerine birds from South China: geographical pattern and implication for potential sources Environmental pollution (Barking, Essex : 1987)
22279897 2011-10-01 [Concentration and emission fluxes of halogenated flame retardants in sewage from sewage outlet in Dongjiang River] Huan jing ke xue= Huanjing kexue
21751774 2011-08-15 Polybrominated diphenyl ethers vs alternate brominated flame retardants and Dechloranes from East Asia to the Arctic Environmental science & technology
21421283 2011-06-01 Polybrominated diphenyl ethers (PBDEs) and alternative brominated flame retardants in air and seawater of the European Arctic Environmental pollution (Barking, Essex : 1987)
21369755 2011-05-01 Optimization and development of analytical methods for the determination of new brominated flame retardants and polybrominated diphenyl ethers in sediments and suspended particulate matter Analytical and bioanalytical chemistry
21140013 2011-03-01 Presence and partitioning properties of the flame retardants pentabromotoluene, pentabromoethylbenzene and hexabromobenzene near suspected source zones in Norway Journal of environmental monitoring : JEM
21291232 2011-03-01 Brominated flame retardants in seawater and atmosphere of the Atlantic and the Southern Ocean Environmental science & technology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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