1-(Trifluoromethyl)cyclobutanecarboxylic acid
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Grundinformationen
- CAS
277756-45-3- Standard-SMILES
O=C(O)C1(C(F)(F)F)CCC1- InChIKey
HYRCPSRIIWIESW-UHFFFAOYSA-N- Summenformel
- C6H7F3O2
- Durchschnittliche Molmasse
- 168,11 g/mol
- Monoisotopische Masse
- 168,03981395
Namen und Bezeichner
- Bevorzugter Name
- 1-(Trifluoromethyl)cyclobutanecarboxylic acid
- IUPAC
- 1-(trifluoromethyl)cyclobutane-1-carboxylic acid
- Englischer Name
- 1-Trifluoromethylcyclobutane-1-carboxylic acid
- Summenformel
- C6H7F3O2
- Molmasse
- 168.11
Namen und Synonyme
277756-45-31-(Trifluoromethyl)cyclobutanecarboxylic acid1-(trifluoromethyl)cyclobutane-1-carboxylic AcidDTXSID40382332RefChem:428823DTXCID70333357620-656-71-Trifluoromethylcyclobutane-1-carboxylic acid1-(trifluoromethyl)-1-cyclobutanecarboxylic acidMFCD03425197Cyclobutanecarboxylic acid, 1-(trifluoromethyl)-SCHEMBL17586
Weitere Namen anzeigen
1-Carboxy-1-(trifluoromethyl)cyclobutane1-(trifluoromethyl)cyclobutane-1-carboxylicaci1-TRIFLUOROMETHYLCYCLOBUTANE-1-CARBOXYLIC ACID ISO 9001：2015 REACH
T37171-trifluoromethyl-cyclobutane-1-carboxylic acid1-(trifluoromethyl)-1-cyclobutane carboxylic acidCyclobutanecarboxylicacid, 1-(trifluoromethyl)-1-trifluoromethyl-cyclobutanecarboxylic acid1-(TriFT-06765931-(trifluoromethyl)-1-cyclobutane-1-carboxylic acid
Datenbank-Bezeichner
- CAS
277756-45-3- PubChem CID
- 2782838
- DTXSID
DTXSID40382332
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 181
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-88°C
- Siedepunkt
- 76 · 76/14mm
- Dichte
- 1.33 g/mL · 1.330 g/mL at 25 °C
- Brechungsindex
- 20 · n 20/D 1.391
- Flammpunkt
- 205 °F · 205 °F
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
- InChIKey
- HYRCPSRIIWIESW-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)(C(O)=O)CCC1
- CAS Datenbank
- 277756 · 277756-45-3(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
Danger
H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 47 reports by companies from 5 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. 3 (83%)；Skin Irrit. 2 (14.9%)；Eye Irrit. 2 (14.9%)；STOT SE 3 (12.8%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2916200090
- risk_code
- 25
- hazard_code
- T,Xi
- safety_code
- 45
- hazard_class
- IRRITANT
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemie und Industrie
Anbieter75 Anbieter
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
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