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2,3,4,5,6-Pentabromtoluol

Pentabromotoluene

HCID 6906
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
87-83-2
Standard-SMILES
Cc1c(Br)c(Br)c(Br)c(Br)c1Br
InChIKey
OZHJEQVYCBTHJT-UHFFFAOYSA-N
Summenformel
C7H3Br5
Durchschnittliche Molmasse
486,62 g/mol
Monoisotopische Masse
481,61516

Überblick

Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Pentabromotoluene
IUPAC
1,2,3,4,5-pentabromo-6-methylbenzene
Lokaler Name
2,3,4,5,6-Pentabromtoluol
Englischer Name
2,3,4,5,6-Pentabromotoluene
Summenformel
C7H3Br5
Molmasse
486.62

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
87-83-2
PubChem CID
6906
DTXSID
DTXSID3025833

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,7
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
12
Formalladung
0
Komplexität
146

Experimentelle und physikochemische Eigenschaften

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 · 2 Einträge

Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)

Colorless solid; [CAMEO] White solid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
285 · 285-286 °C(lit.)
Siedepunkt
356.78 °C · 356.78°C (rough estimate)
Dichte
3.0088 · 3.0088 (rough estimate)
Brechungsindex
1.6303 · 1.6303 (estimate)
storage temp.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 · 1 Eintrag

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 Categories

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion · 2 Einträge

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.

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,2,3,4,5-pentabromo-6-methyl-: ACTIVE

Anwendungen

Verwenden2,3,4,5,6-Pentabromotoluene is a brominated flame retardant. It is considered as an air pollutant.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Benzene, 1,2,5-tribromo-3-methyl-Benzene, 1,2,3-tribromo-4-methyl-2,3,6-tribromo-toluene2,4,6-TribromotolueneToluol

Anbieter80 Anbieter

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郑州阿尔法化工有限公司

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 616656
HRID 616656als Eduktuspto-grants-1978_02
Reaktionsgleichung von HRID 1391280
HRID 1391280als Eduktuspto-grants-1979_02

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
UNII
87007N97G5
EC Number
201-774-4
Nikkaji
J91.316B
2 · 2-8°C
Löslichkeit
Benzene (Slightly), Chloroform (Slightly, Heated), DMSO (Slightly, Heated)
Aggregatzustand
Solid
Farbe
White to Off-White
Wasserlöslichkeit
Insoluble in water.
Henry's Law Constant
4 · 4.0×10-1 mol/(m3Pa) at 25℃, Xiao et al. (2012)
Stabilität
Stable.
Major Application
environmental
InChI
InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChIKey
OZHJEQVYCBTHJT-UHFFFAOYSA-N
SMILES
C1(Br)=C(C)C(Br)=C(Br)C(Br)=C1Br
CAS Datenbank
87 · 87-83-2(CAS DataBase Reference)
EPA chemische Informationen
Pentabromomethylbenzene (87-83-2)
Skin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Fire FightingAny fires involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Artificial Pollution Sources · 2 Einträge

PENTABROMOTOLUENE WAS IDENTIFIED IN SEWAGE SLUDGE SAMPLES FROM SWEDISH WASTE-WATER TREATMENT PLANTS.

USE OF BROMINATED AROMATICS AS FLAME RETARDANTS IS POTENTIAL SOURCE OF ENVIRONMENTAL CONTAMINATION.

Non-Human Toxicity Excerpts · 1 Eintrag

Pentabromotoluene was tested for mutagenicity in the Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. A wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) was tested in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. These tests were negative and the highest ineffective dose level tested (not causing the formation of a precipitate) in any Salmonella tester strain was 100 ug/plate.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG III
hs_code
29033919
RTECS-Nr.
DA6639500
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
hazard_class
9
packing_group
III
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
87-83-2(Hazardous Substances Data)
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
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