Natriumchlordifluoracetat

Sodium chlorodifluoroacetate

HCID 2734985CAS 1895-39-2

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Grundinformationen

Standard-SMILES: O=C([O-])C(F)(F)Cl.[Na+]
InChIKey: MRTAVLDNYYEJHK-UHFFFAOYSA-M
Summenformel: C2ClF2NaO2
Durchschnittliche Molmasse: 152,46 g/mol
Monoisotopische Masse: 151,94525764

Namen und Bezeichner

Bevorzugter Name: Sodium chlorodifluoroacetate
IUPAC: sodium 2-chloro-2,2-difluoroacetate
Lokaler Name: Natriumchlordifluoracetat
Englischer Name: Sodium chlorodifluoroacetate
Summenformel: C2HClF2O2.Na
Molmasse: 153.47

Namen und Synonyme

Sodium chlorodifluoroacetateAcetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1)Acetic acid, chlorodifluoro-, sodium saltEINECS 217-586-0DTXSID1062049RefChem:887407DTXCID2035986217-586-01895-39-2sodium 2-chloro-2,2-difluoroacetateChlorodifluoroacetic acid sodium saltsodium difluorochloroacetate

Weitere Namen anzeigen

2-chloro-2,2-difluoroacetateDIFLUOROCHLOROACETIC ACID SODIUM SALTorodifLSodiumchlorodifluorideSodiumdifluorochlorateRoflumilast impurity 24

MFCD00064771C2ClF2NaO2sodium;2-chloro-2,2-difluoroacetatechlorodifluoro-acetic acid sodium saltsodium chloro(difluoro)acetatesodiumchlorodifluoroacetateSodium chloro difluoro acetate2-Chloro-2,2-difluoro-acetic Acid Sodium Salt; Chlorodifluoroacetic Acid Sodium Salt; Sodium Chlorodifluoroacetate; Sodium Difluorochloroacetate

Datenbank-Bezeichner

CAS: 1895-39-2
PubChem CID: 2734985
DTXSID: DTXSID1062049
UNII: ZAY4J838P2
EC Number: 217-586-0
Nikkaji: J199.722J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 96

Physikochemische Eigenschaften

Schmelzpunkt: 196 · 196-198 °C (lit.)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Soluble in dimethoxyethane, diglyme (0.60 g mL-1), triglyme, dimethyl formamide.
Aggregatzustand: Powder
Farbe: White to off-white
BRN: 4162363 · 4162363
InChI: InChI=1S/C2HClF2O2.Na.H/c3-2(4,5)1(6)7;;/h(H,6,7);;
InChIKey: MRTAVLDNYYEJHK-UHFFFAOYSA-M
SMILES: C(F)(F)(Cl)C(=O)O.[NaH]
CAS Datenbank: 1895 · 1895-39-2(CAS DataBase Reference)
EPA chemische Informationen: Acetic acid, chlorodifluoro-, sodium salt (1895-39-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34354

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29159080
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-24/25-36/37/39
hazard_class: IRRITANT, HYGROSCOPIC
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1): ACTIVE

Anwendungen

VerwendenIt is used as pharmaceutical intermediate. Reactions of aldehydes with triphenylphosphine and sodium chlorodifluoroacetate yield 1,1-difluoro olefins. It is a general reaction and a one step synthesis.