3-Bromo-5-(trifluoromethyl)benzyl bromide

HCID 22324272

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 954123-46-7
Standard-SMILES: FC(F)(F)c1cc(Br)cc(CBr)c1
InChIKey: CRKZDDPRUZNPKL-UHFFFAOYSA-N
Summenformel: C8H5Br2F3
Durchschnittliche Molmasse: 317,93 g/mol
Monoisotopische Masse: 315,87101

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-(trifluoromethyl)benzyl bromide
IUPAC: 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
Englischer Name: 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
Summenformel: C8H5Br2F3
Molmasse: 317.93

Namen und Synonyme

3-Bromo-5-(trifluoromethyl)benzyl bromideRefChem:498829816-694-0954123-46-71-BROMO-3-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)BENZENEMFCD11044989SCHEMBL3591051Benzene, 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)-SCHEMBL29738521DTXSID10624791CK2011AKOS015995561

Weitere Namen anzeigen

AS-45845DA-16611SY018541EN300-2435196F097721

Datenbank-Bezeichner

CAS: 954123-46-7
PubChem CID: 22324272
DTXSID: DTXSID10624791
EC Number: 816-694-0
Nikkaji: J3.446.155D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Siedepunkt: 241 ℃ · 241℃
Dichte: 1.885 · 1.885
Flammpunkt: 100 ℃ · 100℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
Farbe: Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.