3-Bromo-5-chlorotoluene

HCID 10774638

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Grundinformationen

CAS: 329944-72-1
Standard-SMILES: Cc1cc(Cl)cc(Br)c1
InChIKey: YRIKDGJWRMHTJP-UHFFFAOYSA-N
Summenformel: C7H6BrCl
Durchschnittliche Molmasse: 205,48 g/mol
Monoisotopische Masse: 203,93414

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-chlorotoluene
IUPAC: 1-bromo-3-chloro-5-methylbenzene
Englischer Name: 3-Bromo-5-chlorotoluene
Summenformel: C7H6BrCl
Molmasse: 205.48

Namen und Synonyme

3-Bromo-5-chlorotoluene329944-72-1DTXSID70444715RefChem:277552DTXCID70395536810-589-31-Bromo-3-chloro-5-methylbenzeneMFCD084375961-bromo-3-chloro-5-methyl-benzeneBenzene, 1-bromo-3-chloro-5-methyl-5-bromo-3-chlorotolueneSCHEMBL811083

Weitere Namen anzeigen

3-bromo-5-chlorotlouene3-Bromo-5-chlorotoluene 98%3-Chloro-5-methyl-bromobenzene

Benzene,1-bromo-3-chloro-5-methyl-CL8828AB45173DS-1686SY020699EN300-2436951-Bromo-3-chloro-5-methylbenzene; 3-Chloro-5-methyl-bromobenzene;5-Chlor-3-brom-toluol

Datenbank-Bezeichner

CAS: 329944-72-1
PubChem CID: 10774638
DTXSID: DTXSID70444715
EC Number: 810-589-3
Nikkaji: J2.546.115K

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: 25 ℃ · 25℃
Siedepunkt: 222.3 · 222.3±20.0℃ (760 Torr)
Dichte: 1.535 · 1.535±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 101.5 · 101.5±11.9℃
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Solid
Farbe: Pale Yellow
InChI: InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKey: YRIKDGJWRMHTJP-UHFFFAOYSA-N
SMILES: C1(Br)=CC(C)=CC(Cl)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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]；H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 2 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.