5-Fluoro-2-(trifluoromethyl)benzoic acid
Grundinformationen
- CAS
654-99-9- Standard-SMILES
O=C(O)c1cc(F)ccc1C(F)(F)F- InChIKey
BRFNBGWEOKQIND-UHFFFAOYSA-N- Summenformel
- C8H4F4O2
- Durchschnittliche Molmasse
- 208,11 g/mol
- Monoisotopische Masse
- 208,01474201
Namen und Bezeichner
- Bevorzugter Name
- 5-Fluoro-2-(trifluoromethyl)benzoic acid
- IUPAC
- 5-fluoro-2-(trifluoromethyl)benzoic acid
- Englischer Name
- 5-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID
- Summenformel
- C8H4F4O2
- Molmasse
- 208.11
Namen und Synonyme
5-Fluoro-2-(trifluoromethyl)benzoic acid654-99-9DTXSID90350864RefChem:303130DTXCID30301931626-221-8MFCD000835212-trifluoromethyl-5-fluorobenzoic acid5-fluoro-2-trifluoromethylbenzoic acidalpha,alpha,alpha,5-Tetrafluoro-o-toluic acidSCHEMBL222474SCHEMBL29406303
Weitere Namen anzeigen
OTF-BOA-5FRARECHEM AL BO 08535-FLuoro-2-trifluoromethylbenzà,à,à,5-tetrafluoro-o-toluic acidα,α,α,5-tetrafluoro-o-toluic acid2-trifluoromethyl-5-fluorobrnzoic acid5-Fluoro-2-(trifluoromethyl)benzoicacid98%5-Fluoro-2-(trifluoromethyl)benzoicAcid>
CK2235SBB064470AKOS0050678413-Fluoro-6-trifluoromethylbenzoic acidAC-3994CS-W0230845-fluoro 2-trifluoromethyl benzoic acid5-Fluoro-2-(trifluoromethyl)benzoicacid
Datenbank-Bezeichner
- CAS
654-99-9- PubChem CID
- 688294
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 226
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-83 °C (lit.)
- Siedepunkt
- 238.2 · 238.2±40.0 °C(Predicted)
- Dichte
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- slightly sol. in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 2.89 · 2.89±0.36(Predicted)
- Farbe
- White to Almost white
- BRN
- 2618195 · 2618195
- InChI
- InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
- InChIKey
- BRFNBGWEOKQIND-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(F)=CC=C1C(F)(F)F
- CAS Datenbank
- 654 · 654-99-9(CAS DataBase Reference)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-37
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司
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