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
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
394.4°C at 760 mmHg
Melting Point
285-286°C(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.
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.
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 |
