4-Bromo-2-(trifluoromethyl)phenyl isocyanate

HCID 3480062

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 186589-12-8
Standard-SMILES: O=C=Nc1ccc(Br)cc1C(F)(F)F
InChIKey: UZFHKVBCBXPKKE-UHFFFAOYSA-N
Summenformel: C8H3BrF3NO
Durchschnittliche Molmasse: 266,01 g/mol
Monoisotopische Masse: 264,93501

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-(trifluoromethyl)phenyl isocyanate
IUPAC: 4-bromo-1-isocyanato-2-(trifluoromethyl)benzene
Englischer Name: 4-Bromo-2-(trifluoromethyl)phenyl isocyanate
Summenformel: C8H3BrF3NO
Molmasse: 266.01

Namen und Synonyme

186589-12-84-Bromo-2-(trifluoromethyl)phenyl isocyanateDTXSID30392869RefChem:290666DTXCID30343730623-202-641513-02-44-bromo-1-isocyanato-2-(trifluoromethyl)benzene4-bromo-2-(trifluoromethyl)phenylisocyanateMFCD00013871SCHEMBL1149137SCHEMBL29648920

Weitere Namen anzeigen

Benzene, 1-bromo-4-isocyanato-2-(trifluoromethyl)-

GEO-02901AKOS009159386AS-86059G658294-Bromo-2-(trifluoromethyl)phenyl isocyanate, 96%

Datenbank-Bezeichner

CAS: 186589-12-8、41513-02-4
PubChem CID: 3480062
DTXSID: DTXSID30392869
EC Number: 189-761-9、623-202-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 249

Physikochemische Eigenschaften

Siedepunkt: 115 °C10 · 115 °C10 mm Hg(lit.)
Dichte: 1.699 g/mL · 1.699 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.524(lit.)
Flammpunkt: 230 °F · 230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 39 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.