2-(2,3,4-Trifluorophenyl)acetic acid
Grundinformationen
- CAS
243666-12-8- Standard-SMILES
O=C(O)Cc1ccc(F)c(F)c1F- InChIKey
OSQPRQRJSJMQRJ-UHFFFAOYSA-N- Summenformel
- C8H5F3O2
- Durchschnittliche Molmasse
- 190,12 g/mol
- Monoisotopische Masse
- 190,02416406
Namen und Bezeichner
- Bevorzugter Name
- 2-(2,3,4-Trifluorophenyl)acetic acid
- IUPAC
- 2-(2,3,4-trifluorophenyl)acetic acid
- Englischer Name
- 2,3,4-TRIFLUOROPHENYLACETIC ACID
- Summenformel
- C8H5F3O2
- Molmasse
- 190.12
Namen und Synonyme
2-(2,3,4-trifluorophenyl)acetic AcidRefChem:451727671-589-5243666-12-82,3,4-Trifluorophenylacetic acidMFCD00061235SCHEMBL892933DTXSID70380720CK20812-(2,3,4-trifluorophenyl)aceticAcidAKOS005258474DS-7578
Weitere Namen anzeigen
RARECHEM AL BO 05142,3,4-TRIFLUOROBENZENE ACETIC ACID2,3,4-Trifluorophenylaceticacid97%Benzeneacetic acid, 2,3,4-trifluoro-2,3,4-TRIFLUOROPHENYLACETIC ACID ISO 9001：2015 REACH
(2,3,4-trifluorophenyl)acetic acidThiirene, diphenyl-, 1,1-dioxideSCHEMBL29459927SB125SBB065961SB12529AC-12993SY058960
Datenbank-Bezeichner
- CAS
243666-12-8- PubChem CID
- 2777945
- DTXSID
DTXSID70380720- EC Number
- 671-589-5
- Nikkaji
- J2.254.897B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-105℃
- Siedepunkt
- 257.9 · 257.9±35.0 °C(Predicted)
- Dichte
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 3.78 · 3.78±0.10(Predicted)
- InChI
- 1S/C8H5F3O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)
- InChIKey
- OSQPRQRJSJMQRJ-UHFFFAOYSA-N
- SMILES
- FC1=C(F)C(F)=CC=C1CC(O)=O
- CAS Datenbank
- 243666 · 243666-12-8(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
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2916399090
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,3,4-Trifluorophenylacetic acid is an organic compound that is often used as a pharmaceutical intermediate, especially as a key intermediate in the synthesis of sitagliptin, a new drug for the treatment of type 2 diabetes.
Anbieter69 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…