Grundinformationen
- Standard-SMILES
CC(=O)OCC(Cl)(Cl)Cl- InChIKey
XHAXVDWUMCHTCY-UHFFFAOYSA-N- Summenformel
- C4H5Cl3O2
- Durchschnittliche Molmasse
- 191,44 g/mol
- Monoisotopische Masse
- 189,93551244
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,2,2-Trichloroethylacetate
- IUPAC
- 2,2,2-trichloroethyl acetate
- Englischer Name
- 2,2,2-Trichloroethyl acetate
- Summenformel
- C4H5Cl3O2
- Molmasse
- 191.44
Namen und Synonyme
2,2,2-TRICHLOROETHYLACETATERefChem:4404032,2,2-Trichloroethyl acetate625-24-1ACETIC ACID, 2,2,2-TRICHLOROETHYL ESTERBRN 1757888trichioroethyl acetateSCHEMBL732714SCHEMBL7550422DTXSID40211537AKOS025295557acetic acid 2,2,2-trichloro-ethyl ester
Weitere Namen anzeigen
2,2,2-trichloroethyl ethanoateEthanol, 2,2,2-trichloro-, 1-acetate
2,2,2-Trichloroethyl acetate, >=98.0% (GC)
Datenbank-Bezeichner
- CAS
625-24-1- PubChem CID
- 12241
- DTXSID
DTXSID40211537- EC Number
- 621-714-4
- Nikkaji
- J74.797A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 107
Physikochemische Eigenschaften
- Siedepunkt
- 62 °C · 62 °C(Press: 13 Torr)
- Dichte
- 1.401 g/mL · 1.401 g/mL at 20 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.457
- BRN
- 1757888 · 1757888
- InChI
- 1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
- InChIKey
- XHAXVDWUMCHTCY-UHFFFAOYSA-N
- SMILES
- CC(=O)OCC(Cl)(Cl)Cl
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- RTECS-Nr.
- AJ8300000
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 36/37/39-45
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,2,2-Trichloroethyl acetate may be used in the enzyme catalyzed synthesis of enantiomerically pure prostaglandin intermediate, (1S,4R)-(-)-4-hydroxy-2-cyclopentenyl acetate.
Anbieter5 Anbieter
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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