1,2-Dibromo-4-methylbenzene

HCID 34679

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Grundinformationen

CAS: 60956-23-2
Standard-SMILES: Cc1ccc(Br)c(Br)c1
InChIKey: LDCPXNOCWDGYIU-UHFFFAOYSA-N
Summenformel: C7H6Br2
Durchschnittliche Molmasse: 249,93 g/mol
Monoisotopische Masse: 247,88363

Namen und Bezeichner

Bevorzugter Name: 1,2-Dibromo-4-methylbenzene
IUPAC: 1,2-dibromo-4-methylbenzene
Englischer Name: 3,4-Dibromotoluene
Summenformel: C7H6Br2
Molmasse: 249.93

Namen und Synonyme

60956-23-21,2-dibromo-4-methylbenzeneRefChem:411552612-055-33,4-DibromotolueneBenzene, 1,2-dibromo-4-methyl-MFCD000797443,4-Dibromtoluol2943-34-2NSC1398791,2-dibromo-4-methyl-benzeneDTXSID90209782

Weitere Namen anzeigen

NSC 139879343,4-DiBromotoluene3,4-Dibromotoluene>3.4-dibromethylbenzene3,4-Second Bromotoluene3,4-Dibromotoluene,98+%3,4-Dibromotoluene, GC 98%Benzene,1,2-dibromo-4-methyl-

AKOS015834613CS-W012651NSC-139879AC-25931DS-18165EN300-18935383,4-DibromoFT-0614212

Datenbank-Bezeichner

CAS: 60956-23-2
PubChem CID: 34679
DTXSID: DTXSID90209782
EC Number: 612-055-3
Nikkaji: J90.123G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 92

Physikochemische Eigenschaften

Schmelzpunkt: -10 °C · -10 °C
Siedepunkt: 91 · 91-92 °C (3 mmHg)
Dichte: 1.807 g/mL · 1.807 g/mL at 25 °C
Brechungsindex: 1.5985 · 1.5985-1.6005
Flammpunkt: 91 · 91-92°C/3mm
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.85 · 1.85
Wasserlöslichkeit: Not miscible or difficult to mix with water.
BRN: 1931706 · 1931706
InChI: 1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: LDCPXNOCWDGYIU-UHFFFAOYSA-N
SMILES: Cc1ccc(Br)c(Br)c1
CAS Datenbank: 60956 · 60956-23-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 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.