4-Chloro-2-(trifluoromethyl)benzyl bromide

HCID 3492597

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Grundinformationen

CAS: 886496-75-9
Standard-SMILES: FC(F)(F)c1cc(Cl)ccc1CBr
InChIKey: LFFCKOROEHFKQA-UHFFFAOYSA-N
Summenformel: C8H5BrClF3
Durchschnittliche Molmasse: 273,48 g/mol
Monoisotopische Masse: 271,92152

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2-(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene
Englischer Name: 4-Chloro-2-(trifluoromethyl)benzyl bromide
Summenformel: C8H5BrClF3
Molmasse: 273.48

Namen und Synonyme

886496-75-94-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDEDTXSID80392995RefChem:291473DTXCID303438561-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzeneMFCD04115840Benzene, 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)-1-bromomethyl-4-chloro-2-trifluoromethyl-benzene4-chloro-2-(trifloromethyl)benzylbromideSCHEMBL119225CL9708

Weitere Namen anzeigen

AS-46463EN300-19301894-chloro-2-(triflorFT-0729376SCHEMBL29465609AKOS015956010SY228319DB-092754

Datenbank-Bezeichner

CAS: 886496-75-9
PubChem CID: 3492597
DTXSID: DTXSID80392995
EC Number: 679-328-7

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Siedepunkt: 214 · 214.0±35.0 °C(Predicted)
Dichte: 1.663 · 1.663±0.06 g/cm3(Predicted)
Brechungsindex: 1.52 · 1.5200
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Difficult to mix.
Aggregatzustand: solid
InChI: 1S/C8H5BrClF3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChIKey: LFFCKOROEHFKQA-UHFFFAOYSA-N
SMILES: ClC1=CC(C(F)(F)F)=C(CBr)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (20%): 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 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Corr. 1B (100%)；STOT SE 3 (20%)

Sicherheitsdaten

ridadr: UN3265
hs_code: 2909309090
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4

Chemie und Industrie

Anwendungen

Verwenden4-Chloro-2-(trifluoromethyl)benzyl bromide is used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids