α,α,α',α'-Tetrabrom-o-xylol

1,2-BIS(DIBROMOMETHYL)BENZENE · ′-Tetrabromo-o< · 1,2-Bis(dibromomethyl) · O-XYLYLENE TETRABROMIDE · AAAATETRABROMOORTHOXYLENE · a,a,a,a-Tertabromo-O-Xylene · 1,2-bis(dibromomethyl)-benze · à,à,à',à'-tetrabromo-o-xylene

https://huagongshe.com/de/chemical/83234

Molekülstruktur von α,α,α',α'-Tetrabrom-o-xylol

Identifikatoren & physikalische Daten

CAS No.	13209-15-9
Summenformel	C8H6Br4
Durchschnittliche Molmasse	421,75 g/mol
Monoisotopische Masse	417,7203 g/mol
SMILES	BrC(Br)c1ccccc1C(Br)Br
InChIKey	LNAOKZKISWEZNY-UHFFFAOYSA-N
PubChem CID	83234
EC No.	236-176-2
DTXSID	DTXSID7022255
Lokaler Name	α,α,α',α'-Tetrabrom-o-xylol

Chemische & physikalische Eigenschaften

XLogP	4,8
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	119
Physical Description	Light brown crystalline solid[Sigma-Aldrich MSDS]
Schmelzpunkt	114-116 °C(lit.)
Siedepunkt	303.01°C (rough estimate)
Dichte	2.2654 (rough estimate)
Brechungsindex	1.7040 (estimate)
Lagerbedingungen	Store below +30°C.
Aggregatzustand	Liquid or Low Melting Solid
Farbe	Clear colorless to yellow
Löslichkeit	Insoluble
BRN	2211698
InChI	InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
InChIKey	LNAOKZKISWEZNY-UHFFFAOYSA-N
SMILES	C1(C(Br)Br)=CC=CC=C1C(Br)Br
CAS Datenbank	13209-15-9(CAS DataBase Reference)
EPA chemische Informationen	1,2-Bis(dibromomethyl)benzene (13209-15-9)

Sicherheit & Vorschriften

TSCA-Inventar-Status
GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (84.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	1,2-Bis(dibromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Skin Corr. 1B (100%)Eye Dam. 1 (89.1%)STOT SE 3 (93.5%)Aquatic Acute 1 (84.8%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
F	19-21
Wassergefährdungsklasse (WGK)	3

Anwendungen & Verwendung

Verwenden

α,α,α',α'-Tetrabromo-o-xylene reacts with 5endo,6endo-bis-chlormethyl-norborn-2-en to obtain trans/cis-2,3-bis(chloromethyl)-1,4-methano-1,2,3,4-tetrahydroanthracene. Further, it is involved in the preparation of 1-(3-butenyl)-2-(deuteriomethyl)benzene by reacting with allylmagnesium bromide. In addition this, it is used to prepare exo-benzocyclobuteno-1,2,3,4-tetrahydro-1,4-methanoanthracene by reacting with exo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene.