Chlormethylpivalat
Chloromethyl pivalate
Grundinformationen
- CAS
18997-19-8- Standard-SMILES
CC(C)(C)C(=O)OCCl- InChIKey
GGRHYQCXXYLUTL-UHFFFAOYSA-N- Summenformel
- C6H11ClO2
- Durchschnittliche Molmasse
- 150,6 g/mol
- Monoisotopische Masse
- 150,0447573
Namen und Bezeichner
- Bevorzugter Name
- Chloromethyl pivalate
- IUPAC
- chloromethyl 2,2-dimethylpropanoate
- Lokaler Name
- Chlormethylpivalat
- Englischer Name
- Chloromethyl pivalate
- Summenformel
- C6H11ClO2
- Molmasse
- 150.6
Namen und Synonyme
Chloromethyl pivalate18997-19-8chloromethyl 2,2-dimethylpropanoatePivaloyloxymethyl chloridePropanoic acid, 2,2-dimethyl-, chloromethyl esterChloromethyl Trimethylacetate2,2-Dimethylpropionic Acid Chloromethyl EsterZQU16YZ6MFchloromethyl 2,2-dimethylpropionateEINECS 242-735-1DTXSID1066445GGRHYQCXXYLUTL-UHFFFAOYSA-
Weitere Namen anzeigen
POM-CLCMPVAdefovir Impurity 13hloromethyl pivalatechloromethylepivalateCHLOROMETHYL PIVARATEPivaloxymethylchlorde
((TERT-BUTYLCARBONYL)OXY)METHYL CHLORIDE(2,2-DIMETHYL-1-OXOPROPOXY)METHYL CHLORIDE.ALPHA.,.ALPHA.-DIMETHYLPROPIONYLOXYMETHYL CHLORIDERefChem:575896DTXCID6035992Propanoic acid, 2,2dimethyl, chloromethyl esterALPHA,ALPHA-DIMETHYLPROPIONYLOXYMETHYL CHLORIDE242-735-1
Datenbank-Bezeichner
- CAS
18997-19-8- PubChem CID
- 87885
- DTXSID
DTXSID1066445- UNII
- ZQU16YZ6MF
- EC Number
- 242-735-1
- Nikkaji
- J26.281A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 104
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors
Physical DescriptionColorless to very faintly yellow clear liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -40 °C · <-40°C
- Siedepunkt
- 146 · 146-148 °C (lit.)
- Dichte
- 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.417(lit.)
- Flammpunkt
- 104 °F · 104 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Sparingly)
- Aggregatzustand
- Liquid
- Wichte
- 1.038 · 1.038
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- Miscible with most organic solvents. Immiscible with water.
- BRN
- 1560838 · 1560838
- InChI
- 1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
- InChIKey
- GGRHYQCXXYLUTL-UHFFFAOYSA-N
- SMILES
- CC(C)(C)C(=O)OCCl
- CAS Datenbank
- 18997 · 18997-19-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propanoic acid, 2,2-dimethyl-, chloromethyl ester(18997-19-8)
- EPA chemische Informationen
- 2 · Propanoic acid, 2,2-dimethyl-, chloromethyl ester (18997-19-8)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2,2-dimethyl-, chloromethyl ester
REACH registered substance: Chloromethyl pivalate (EC: 242-735-1)
Propanoic acid, 2,2-dimethyl-, chloromethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant and lachrymator; May cause CNS depression; [Acros Organics MSDS] See Diphosgene and Chloromethyl methyl ether.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29159000
- risk_code
- 10-20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 16-26-36-41-36/37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanoic acid, 2,2-dimethyl-, chloromethyl ester: ACTIVE
Anwendungen
BeschreibungChloromethyl pivalate (CP) is an electrolyte solvent used in novel lithium-oxygen (Li-O2) batteries. As the structure of CP does not contain any α-H atoms, CP-based electrolytes exhibit excellent chemical stability in both superoxide radical solutions and the actual Li-O2 battery environment, effectively resisting the corrosive effects of superoxide radicals. Furthermore, even without the use of a catalyst in the cathode of the Li-O2 battery, the battery demonstrates high specific capacity and good cycling stability[6].
VerwendenChloromethyl pivalate was used in the synthesis of pivaloyloxy methyl ester of ofloxacin as prodrug. It was used as the reagent during the synthesis of an isoindoline-annulated, tricyclic sultam library via microwave-assisted, continuous-flow organic synthesis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
364
Notizen zur Verbindung
Wird geladen…