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1-Chloroisofluorane

CAT: 0572-TRC-C367355-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C367355-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32778-08-8
Synonyms
Isoflurane Imp. C (EP); Isoflurane USP Related Compound A; Isoflurane USP RC A; (2RS)-2-Chloro-2-(chlorodifluoromethoxy)-1,1,1-trifluoroethane; Isoflurane Related Compound A; Isoflurane Impurity C
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
FC(F)(F)C(Cl)OC(F)(F)Cl
Molecular Formula
C3 H Cl2 F5 O
Molecular Weight
218.94
InChI
InChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
Additionnal Information
IUPAC name: 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2-Chloro-2-(chlorodifluoromethoxy)-1,1,1-trifluoroethane
CAS Number32778-08-8
PubChem CID3478954
IUPAC Name2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
Molecular FormulaC3HCl2F5O
Molecular Weight218.93
XLogP3.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C(C(F)(F)F)(OC(F)(F)Cl)Cl
InChI
InChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
InChIKey
TZZWXBLENLGFDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-2-(chlorodifluoromethoxy)-1,1,1-trifluoroethane
CAS: 32778-08-8
CID: 3478954
Formula: C3HCl2F5O
MW: 218.93
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.93
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass217.9324608
Monoisotopic Mass217.9324608
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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