2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene

HCID 2773199CAS 302911-98-4

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(C(F)(F)F)c(CBr)c1
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
Summenformel: C9H5BrF6
Durchschnittliche Molmasse: 307,03 g/mol
Monoisotopische Masse: 305,94788

Namen und Bezeichner

Bevorzugter Name: 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene
IUPAC: 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene
Englischer Name: 2,5-Bis(trifluoromethyl)benzyl bromide
Summenformel: C9H5BrF6
Molmasse: 307.03

Namen und Synonyme

2-(bromomethyl)-1,4-bis(trifluoromethyl)benzeneRefChem:459912302911-98-42,5-Bis(trifluoromethyl)benzyl bromideMFCD00799485Benzene, 2-(bromomethyl)-1,4-bis(trifluoromethyl)-2,5-bis(Trifluoromethyl)benzylbromide2,5-BIS(TRIFLUORMETHYL)BENZYL BROMIDE2-(2-BROMOETHYL)-1,4-BIS(TRIFLUOROMETHYL)BENZENE1,4-Bis(trifluoromethyl)-2-(bromomethyl)benzeneSCHEMBL1775557DTXSID80378279

Weitere Namen anzeigen

2,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE ISO 9001：2015 REACH

AKOS005257750PS-9882AC-26169SY040262DB-0477452,5-Bis(trifluoromethyl)benzyl bromide 97%2,5-Bis(trifluoromethyl)benzyl bromide, 97%N12037

Datenbank-Bezeichner

CAS: 302911-98-4
PubChem CID: 2773199
DTXSID: DTXSID80378279
EC Number: 642-624-1
Nikkaji: J2.652.114I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Siedepunkt: 176 · 176
Dichte: 1.674 g/mL · 1.674 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.449(lit.)
Flammpunkt: 91 °C · 91 °C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: liquid
Farbe: Clear, colourless
InChI: 1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(c(CBr)c1)C(F)(F)F
CAS Datenbank: 302911 · 302911-98-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.