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Sodium Heptafluorobutyrate

CAT: 0286-S05580-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-S05580-01Size:5 g
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CAS Number
2218-54-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00066168
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Sodium perfluorobutanoate
CAS Number2218-54-4
PubChem CID23678859
IUPAC Namesodium 2,2,3,3,4,4,4-heptafluorobutanoate
Molecular FormulaC4F7NaO2
Molecular Weight236.02
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)[O-].[Na+]
InChI
InChI=1S/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1
InChIKey
YSHHTXWLHYSYJP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium perfluorobutanoate
CAS: 2218-54-4
CID: 23678859
Formula: C4F7NaO2
MW: 236.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.02
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass235.96842065
Monoisotopic Mass235.96842065
Topological Polar Surface Area40.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-264318Sodium heptafluorobutyrate
275960-01Ethyl Heptafluorobutyrate
TRC-M010285-5GMethyl Heptafluorobutyrate
sc-264302Silver heptafluorobutyrate
PC108191Potassium heptafluorobutyrate
PC9812Allyl heptafluorobutyrate
sc-358587Vinyl heptafluorobutyrate
sc-257840AN-Butyl heptafluorobutyrate
sc-253431Rhodium (II) heptafluorobutyrate dimer
1191110 500Sodium Metabisulphite (Sodium Disulphite, Sodium Pyrosulphite)

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