3-Bromo-4-iodotoluene

HCID 626634CAS 71838-16-9

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Grundinformationen

Standard-SMILES: Cc1ccc(I)c(Br)c1
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
Summenformel: C7H6BrI
Durchschnittliche Molmasse: 296,93 g/mol
Monoisotopische Masse: 295,86976

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-4-iodotoluene
IUPAC: 2-bromo-1-iodo-4-methylbenzene
Englischer Name: 3-BROMO-4-IODOTOLUENE
Summenformel: C7H6BrI
Molmasse: 296.93

Namen und Synonyme

3-Bromo-4-iodotoluene71838-16-9DTXSID80347849RefChem:498672DTXCID60298921674-072-22-Bromo-1-iodo-4-methylbenzene1-bromo-2-iodo-5-methylbenzeneMFCD00079718Benzene, 2-bromo-1-iodo-4-methyl-2-bromo-1-iodo-4-methyl-benzeneAKOS015834647

Weitere Namen anzeigen

CS-W019589AS-19885SY014476B5284D701252-Bromo-4-methyliodobenzeneA837341SCHEMBL2722113

Datenbank-Bezeichner

CAS: 71838-16-9
PubChem CID: 626634
DTXSID: DTXSID80347849
EC Number: 674-072-2
Nikkaji: J1.995.266E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Schmelzpunkt: 265 · 265-267 °C
Siedepunkt: 133 °C · 133 °C
Dichte: 2 · 2,08 g/cm3
Brechungsindex: 1.65 · 1.65
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Light yellow to Brown
Wichte: 2.08 · 2.08
InChI: InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(C)C=C1Br
CAS Datenbank: 71838 · 71838-16-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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.