4-Fluoro-1-isocyanato-2-(trifluoromethyl)benzene
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Grundinformationen
- CAS
190774-54-0- Standard-SMILES
O=C=Nc1ccc(F)cc1C(F)(F)F- InChIKey
MNANIHSTOUUFNY-UHFFFAOYSA-N- Summenformel
- C8H3F4NO
- Durchschnittliche Molmasse
- 205,11 g/mol
- Monoisotopische Masse
- 205,01507637
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluoro-1-isocyanato-2-(trifluoromethyl)benzene
- IUPAC
- 4-fluoro-1-isocyanato-2-(trifluoromethyl)benzene
- Englischer Name
- 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
- Summenformel
- C8H3F4NO
- Molmasse
- 205.11
Namen und Synonyme
4-fluoro-1-isocyanato-2-(trifluoromethyl)benzeneRefChem:523015624-927-0190774-54-04-Fluoro-2-(trifluoromethyl)phenyl isocyanateBenzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)-4-Fluoro-2-(trifluoromethyl)phenylisocyanateSCHEMBL424482SCHEMBL30438763DTXSID40369880SBB006635AKOS015916385
Weitere Namen anzeigen
TIMTEC-BB SBB0066354-Fluoro-2-(trifluoromethyl)phenyl isocyanate,98%4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 97%Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)- (9CI)
DB-0447434-fluoro-2-(trifluoromethyl)benzenisocyanateEN300-3225184-fluoro-1-isocyanato-2-trifluoromethyl-benzene4-Fluoro-2-(trifluoromethyl)phenyl isocyanate, 97%
Datenbank-Bezeichner
- CAS
190774-54-0- PubChem CID
- 2733382
- DTXSID
DTXSID40369880- EC Number
- 624-927-0
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 246
Physikochemische Eigenschaften
- Siedepunkt
- 52 °C2.5 · 52 °C2.5 mm Hg(lit.)
- Dichte
- 1.43 g/mL · 1.43 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.461(lit.)
- Flammpunkt
- 160 °F · 160 °F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2922 8/PG 3
- risk_code
- 20/21/22-34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
Chemie und Industrie
Anwendungen
Verwenden4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate is a reagent used for the preparation of nitrogen-containing compounds having kinase inhibitory activity. More specifically, 4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate can be used for the preparation of ureas and related compounds as KDR kinase inhibitors for the treatment of some cancers.
Anbieter5 Anbieter
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
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