α,α'-Dibrom-m-xylol

Benzene, 1,3-bis(bromomethyl)-

HCID 69373

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Grundinformationen

CAS: 626-15-3
Standard-SMILES: BrCc1cccc(CBr)c1
InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N
Summenformel: C8H8Br2
Durchschnittliche Molmasse: 263,96 g/mol
Monoisotopische Masse: 261,89927446

Namen und Bezeichner

Bevorzugter Name: Benzene, 1,3-bis(bromomethyl)-
IUPAC: 1,3-bis(bromomethyl)benzene
Lokaler Name: α,α'-Dibrom-m-xylol
Englischer Name: 1,3-Bis(bromomethyl)benzene
Summenformel: C8H8Br2
Molmasse: 263.96

Namen und Synonyme

1,3-Bis(bromomethyl)benzene626-15-3m-Xylylene dibromideBenzene, 1,3-bis(bromomethyl)-m-Bis(bromomethyl)benzeneNSC 28040CCRIS 1777m-Xylene, alpha,alpha'-dibromo-EINECS 210-931-6DTXSID90608131,3-bis(bromomethyl)-benzeneRefChem:562277

Weitere Namen anzeigen

m-Xylene dibromideM-XYLYLENE BROMIDEa,a'-Dibromo-m-xyleneJACS-626-15-3M-Bezyl DibroMideM-Benzyl DibroMideXylenedibromide,97%M-XYLYENE DIBROMIDEM-XYLIDENE DIBROMIDE

DTXCID1043411m-Xylene, alpha,alpha'-dibromo-(8CI)InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6Halpha,alpha'-Dibromo-m-xyleneMFCD00000178alpha,alpha-dibromo-m-xyleneMTF8V3HX3Hm-Xylene, .alpha.,.alpha.'-dibromo-

Datenbank-Bezeichner

CAS: 626-15-3
PubChem CID: 69373
DTXSID: DTXSID9060813
UNII: MTF8V3HX3H
EC Number: 210-931-6
Nikkaji: J134.734I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 83,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-77 °C(lit.)
Siedepunkt: 135 · 135-140 °C20 mm Hg(lit.)
Dichte: 1.959 · 1.9590
Brechungsindex: 1.6113 · 1.6113 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · dioxane: 0.1 g/mL, clear, colorless
Aggregatzustand: Crystalline Powder and Chunks
Farbe: White to brown
Wasserlöslichkeit: Insoluble in water.
BRN: 971085 · 971085
InChI: InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(CBr)=C1
CAS Datenbank: 626 · 626-15-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1,3-bis(bromomethyl)-(626-15-3)
EPA chemische Informationen: 1 · 1,3-Bis(bromomethyl)benzene (626-15-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,3-Bis(bromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (16.7%)

Sicherheitsdaten

F: 8-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3448 6.1/PG 2
hs_code: 29036990
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
hazard_class: 8
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,3-bis(bromomethyl)-: ACTIVE

Anwendungen

Verwenden1,3-Bis(bromomethyl)benzene has been used in preparation of four novel dinuclear half-titanocenes with meta - and ortho xylene bridges as new metallocenes 1 . It was used in the synthesis of dissymmetrical bis -macrocyclic salt 2 .