4-Bromo-3-iodotoluene

HCID 16218088

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Grundinformationen

CAS: 858841-53-9
Standard-SMILES: Cc1ccc(Br)c(I)c1
InChIKey: FLOUOTRVXNQGKP-UHFFFAOYSA-N
Summenformel: C7H6BrI
Durchschnittliche Molmasse: 296,93 g/mol
Monoisotopische Masse: 295,86976

Namen und Bezeichner

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

Namen und Synonyme

4-Bromo-3-iodotolueneRefChem:519970688-213-01-Bromo-2-iodo-4-methylbenzene858841-53-9MFCD07784420SCHEMBL1148097SCHEMBL80793834-Bromo-3-iodotoluene, 97%SCHEMBL31035651DTXSID70584746FLOUOTRVXNQGKP-UHFFFAOYSA-N

Weitere Namen anzeigen

3-Iodo-4-bromotolueneBenzene, 1-broMo-2-iodo-4-Methyl-1-Bromo-2-iodo-4-methylbenzene≥ 97% (GC)

AKOS015835229CS-W005149DS-13546SY051407B5168EN300-3536590F050617

Datenbank-Bezeichner

CAS: 858841-53-9
PubChem CID: 16218088
DTXSID: DTXSID70584746
EC Number: 688-213-0
Nikkaji: J2.755.205F

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

Siedepunkt: 271.5 · 271.5±20.0℃ (760 Torr)
Dichte: 2.084 g/mL · 2.084 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.646
Flammpunkt: 110 °C · 110 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: Very Dark Brown
InChI: InChI=1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: FLOUOTRVXNQGKP-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C)C=C1I

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)；Aquatic Chronic 4 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 2903998090
risk_code: 25
hazard_code: T
safety_code: 45
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 4