1-(Trifluoromethyl)cyclopropane-1-carboxylic acid
Grundinformationen
- CAS
277756-46-4- Standard-SMILES
O=C(O)C1(C(F)(F)F)CC1- InChIKey
SKCBKBCACWDALV-UHFFFAOYSA-N- Summenformel
- C5H5F3O2
- Durchschnittliche Molmasse
- 154,09 g/mol
- Monoisotopische Masse
- 154,02416406
Namen und Bezeichner
- Bevorzugter Name
- 1-(Trifluoromethyl)cyclopropane-1-carboxylic acid
- IUPAC
- 1-(trifluoromethyl)cyclopropane-1-carboxylic acid
- Englischer Name
- 1-Trifluoromethylcyclopropane-1-carboxylic acid
- Summenformel
- C5H5F3O2
- Molmasse
- 154.09
Namen und Synonyme
277756-46-41-(Trifluoromethyl)cyclopropane-1-carboxylic acid1-(trifluoromethyl)cyclopropanecarboxylic acidDTXSID80380857RefChem:428832DTXCID60331882629-220-01-Trifluoromethylcyclopropane-1-carboxylic acidMFCD03093070CYCLOPROPANECARBOXYLIC ACID, 1-(TRIFLUOROMETHYL)-1-trifluoromethylcyclopropanecarboxylic acidSCHEMBL18559
Weitere Namen anzeigen
1-(TRIFLUOROMETHYL)CYCLOPROPANE-1-CARBO&1-Carboxy-1-(trifluoromethyl)cyclopropane1-(Trifluoromethyl)cyclopropan-carboxylic acid1-(Trifluoromethyl)cyclopropane-1-carboxylicacid99%1-Trifluoromethylcyclopropane-1-carboxylic acid ,97%1-(Trifluoromethyl)cyclopropane-1-carboxylic acid 99%
1-(Trifluoromethyl)cyclopropanecarboxylicacidAB131991-trifluoromethyl-cyclopropanecarboxylic acidEN300-649161-(Trifluoromethyl)cyclopropane-1-carboxylic acid, 97%1-(Trifluoromethyl)cyclopropane-1-carboxylicacid1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLICACID1-(trifluoromethyl)-1-cyclopropanecarboxylic acid
Datenbank-Bezeichner
- CAS
277756-46-4- PubChem CID
- 2778306
- DTXSID
DTXSID80380857- EC Number
- 629-220-0
- Nikkaji
- J1.298.203H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 168
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 °C · 86 °C
- Siedepunkt
- 182 · 182-184°C
- Dichte
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- Flammpunkt
- 182 · 182-184°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- powder to crystal
- pka
- 3.03 · 3.03±0.20(Predicted)
- Farbe
- White to Almost white
- BRN
- 8543283 · 8543283
- InChI
- InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
- InChIKey
- SKCBKBCACWDALV-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)(C(O)=O)CC1
- CAS Datenbank
- 277756 · 277756-46-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (79.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3261
- hs_code
- 29162090
- risk_code
- 34-22
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
VerwendenA intermediate in the preparation of MK-5046, a potent, selective bombesin receptor subtype-3 agonist for the treatment of obesity.
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