1-Fluoro-3-isocyanato-5-(trifluoromethyl)benzene

HCID 3445672CAS 302912-19-2

Grundinformationen

Standard-SMILES
O=C=Nc1cc(F)cc(C(F)(F)F)c1
InChIKey
WGSXKYXKAARAKD-UHFFFAOYSA-N
Summenformel
C8H3F4NO
Durchschnittliche Molmasse
205,11 g/mol
Monoisotopische Masse
205,01507637

Namen und Bezeichner

Bevorzugter Name
1-Fluoro-3-isocyanato-5-(trifluoromethyl)benzene
IUPAC
1-fluoro-3-isocyanato-5-(trifluoromethyl)benzene
Englischer Name
3-Fluoro-5-(trifluoromethyl)phenyl
Summenformel
C8H3F4NO
Molmasse
205.11

Namen und Synonyme

1-fluoro-3-isocyanato-5-(trifluoromethyl)benzeneRefChem:432802623-624-03-Fluoro-5-(trifluoromethyl)phenyl isocyanate302912-19-2Benzene, 1-fluoro-3-isocyanato-5-(trifluoromethyl)-MFCD018635773-Fluoro-5-(trifluoromethyl)phenyl3-fluoro-5-trifluoromethylphenyl isocyanateSCHEMBL60268DTXSID40392532Benzene, 1-fluoro-3-isocyanato-5-(trifluoromethyl)- (9CI)
Weitere Namen anzeigen
3-Fluoro-5-(trifluoromethyl)phenyl isocyanate 97%3-Fluoro-5-(trifluoromethyl)phenyl isocyanate, 97+%
GEO-01406SBB093422AKOS0052545003-fluoro-5-trifluoromethylphenylisocyanateAS-19797SY1101773-fluoro-5-(trifluoromethyl)phenylisocyanate5-fluoro-3-(trifluoromethyl)benzenisocyanate

Datenbank-Bezeichner

CAS
302912-19-2
PubChem CID
3445672
DTXSID
DTXSID40392532
EC Number
623-624-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
29,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
14

Physikochemische Eigenschaften

Siedepunkt
164 °C · 164 °C (lit.)
Dichte
1.423 g/mL · 1.423 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.446(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · 2-8°C
InChI
1S/C8H3F4NO/c9-6-1-5(8(10,11)12)2-7(3-6)13-4-14/h1-3H

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.6%): 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 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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 (97.6%);Acute Tox. 4 (97.6%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (97.6%);Resp. Sens. 1 (97.6%);STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
ridadr
UN2206
risk_code
20/21/22-36/37/38-42
hazard_code
Xn
safety_code
23-26-36
hazard_class
6.1

Chemie und Industrie

Anwendungen

Verwenden3-Fluoro-5-(trifluoromethyl)phenyl isocyanate is used as a reactant in the preparation of RIP1 kinase inhibitors for the treatment of pathologies associated with necroptosis.

Anbieter34 Anbieter

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

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