4-Bromo-2-fluoro-1-(1-methylethyl)benzene

HCID 21051092

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Grundinformationen

CAS: 112611-87-7
Standard-SMILES: CC(C)c1ccc(Br)cc1F
InChIKey: PAYWIMMOVUPBHF-UHFFFAOYSA-N
Summenformel: C9H10BrF
Durchschnittliche Molmasse: 217,08 g/mol
Monoisotopische Masse: 215,99499

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-fluoro-1-(1-methylethyl)benzene
IUPAC: 4-bromo-2-fluoro-1-propan-2-ylbenzene
Englischer Name: 4-bromo-2-fluoro-1-isopropylbenzene
Summenformel: C9H10BrF
Molmasse: 217.08

Namen und Synonyme

112611-87-74-Bromo-2-fluoro-1-(propan-2-yl)benzeneDTXSID2012705154-Bromo-2-fluoro-1-(1-methylethyl)benzeneRefChem:519660DTXCID201701116843-566-14-bromo-2-fluoro-1-isopropylbenzeneMFCD20482704Benzene, 4-bromo-2-fluoro-1-(1-methylethyl)-4-bromo-2-fluoro-1-propan-2-ylbenzeneSCHEMBL2550576

Weitere Namen anzeigen

SCHEMBL27889504SCHEMBL30169618PAYWIMMOVUPBHF-UHFFFAOYSA-NMEA611871-bromo-3-fluoro-4-i-propylbenzeneGS26114-bromo-2-fluoro-1-isopropyl-benzeneSY469377

Datenbank-Bezeichner

CAS: 112611-87-7
PubChem CID: 21051092
DTXSID: DTXSID201270515
EC Number: 843-566-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 125

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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.