1-Bromo-4-methoxy-2-(trifluoromethyl)benzene

HCID 14484727

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 400-72-6
Standard-SMILES: COc1ccc(Br)c(C(F)(F)F)c1
InChIKey: NSGGOSHNRGWKCM-UHFFFAOYSA-N
Summenformel: C8H6BrF3O
Durchschnittliche Molmasse: 255,03 g/mol
Monoisotopische Masse: 253,95541

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene
IUPAC: 1-bromo-4-methoxy-2-(trifluoromethyl)benzene
Englischer Name: 2-Bromo-5-methoxybenzotrifluoride
Summenformel: C8H6BrF3O
Molmasse: 255.03

Namen und Synonyme

400-72-61-bromo-4-methoxy-2-(trifluoromethyl)benzeneDTXSID20560873RefChem:228618DTXCID505116513-Trifluoromethyl-4-bromoanisole4-bromo-3-trifluoromethylanisole2-Bromo-5-methoxybenzotrifluoride4-bromo-3-(trifluoromethyl)anisoleMFCD08059527Benzene, 1-bromo-4-methoxy-2-(trifluoromethyl)-CS-W012583

Weitere Namen anzeigen

2-Bromo-5-methoxybenzotrifluoride 98%3-trifluoromethyl-4-bromophenyl ether

3-trifluoromethyl-4-bromo-1-methoxybenzene1-bromo-4-methoxy-2-trifluoromethyl-benzeneEN300-92969AM20040386SCHEMBL1041682SCHEMBL1045536SCHEMBL30451893CL8608

Datenbank-Bezeichner

CAS: 400-72-6
PubChem CID: 14484727
DTXSID: DTXSID20560873
EC Number: 642-842-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Siedepunkt: 217.8 · 217.8±40.0 °C(Predicted)
Dichte: 1.563 · 1.563±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
CAS Datenbank: 400 · 400-72-6(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 (100%): 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 5 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.