Grundinformationen
- Standard-SMILES
BrC(Br)c1ccccc1C(Br)Br- InChIKey
LNAOKZKISWEZNY-UHFFFAOYSA-N- Summenformel
- C8H6Br4
- Durchschnittliche Molmasse
- 421,75 g/mol
- Monoisotopische Masse
- 417,7203
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Bis(dibromomethyl)benzene
- IUPAC
- 1,2-bis(dibromomethyl)benzene
- Lokaler Name
- α,α,α',α'-Tetrabrom-o-xylol
- Englischer Name
- alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene
- Summenformel
- C8H6Br4
- Molmasse
- 421.75
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13209-15-9- PubChem CID
- 83234
- DTXSID
DTXSID7022255- UNII
- 3WG2H68VX4
- EC Number
- 236-176-2
- Nikkaji
- J31.710A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-116 °C(lit.)
- Siedepunkt
- 303.01 °C · 303.01°C (rough estimate)
- Dichte
- 2.2654 · 2.2654 (rough estimate)
- Brechungsindex
- 1.704 · 1.7040 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid or Low Melting Solid
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- Insoluble
- BRN
- 2211698 · 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 · 13209-15-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,2-Bis(dibromomethyl)benzene (13209-15-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (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 exposure; Respiratory 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.
Gefahrenhinweise
Toxikologische Informationen
Regulatorische Informationen
Sicherheitsdaten
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- risk_code
- 34-36/37-20/21/22
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Aquatic Acute 1Eye Dam. 1Skin Corr. 1BSTOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwendenα,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.
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