2-Chloroethyl trifluoromethanesulfonate

HCID 100525CAS 73323-80-5

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Grundinformationen

Standard-SMILES: O=S(=O)(OCCCl)C(F)(F)F
InChIKey: OJEPTKFBWNNVHK-UHFFFAOYSA-N
Summenformel: C3H4ClF3O3S
Durchschnittliche Molmasse: 212,58 g/mol
Monoisotopische Masse: 211,9521773

Namen und Bezeichner

Bevorzugter Name: 2-Chloroethyl trifluoromethanesulfonate
IUPAC: 2-chloroethyl trifluoromethanesulfonate
Englischer Name: Methanesulfonic acid, trifluoro-, 2-chloroethyl ester
Summenformel: C3H4ClF3O3S
Molmasse: 212.58

Namen und Synonyme

2-chloroethyl trifluoromethanesulfonateRefChem:470448838-304-873323-80-5NSC 3140432-Chloroethyl trifluoromethanesulphonateMFCD18074401NSC-314043Methanesulfonic acid, trifluoro-, 2-chloroethyl esterNSC3140432-Chloroethyltriflate2-chloroethyl triflate

Weitere Namen anzeigen

2-Chloroethyl trifluoromethanesulphonate 95%Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloroethyl ester3-(Palmitoyloxy)-2-((10-(pyren-1-yl)decanoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphate

ZJ8QW7PCL5CHEMBL167526SCHEMBL1924854DTXSID10223561YCA32380AKOS025310225CS-02313702-Chloroethyl 1,1,1-trifluoromethanesulfonate

Datenbank-Bezeichner

CAS: 73323-80-5
PubChem CID: 100525
DTXSID: DTXSID10223561
ChEMBL: CHEMBL167526
UNII: ZJ8QW7PCL5
EC Number: 838-304-8
Nikkaji: J2.493.732A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: -50.5 · -50.5--50.0 °C
Siedepunkt: 170.8 · 170.8±40.0 °C(Predicted)
Dichte: 1.595 · 1.595±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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.