4-hydrohexafluorobutanoic acid

CAT: 1266-JH435571Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH435571Size:1 Each

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CAS Number

679-12-9

UN Code

UN 2987

Hazard Statement

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Molecular Formula

C4H2F6O2

Molecular Weight

196.05

Product Name Synonym

γ-H-Hexafluorbuttersaeure

Physical Properties

Off-white solid

Hazardous Class

6.1

Safety Statements

S23-S24/25

Density

1.708 g/mL at 20oC (lit.)

Flash Point

49.3oC

RIDADR

UN 2987

Melting Point

225-230oC

Chemical Information

2,2,3,3,4,4-Hexafluorobutyric acid

CAS Number	679-12-9
PubChem CID	1752534
IUPAC Name	2,2,3,3,4,4-hexafluorobutanoic acid
Molecular Formula	C4H2F6O2
Molecular Weight	196.05
XLogP	2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

C(C(C(C(=O)O)(F)F)(F)F)(F)F

InChI

InChI=1S/C4H2F6O2/c5-1(6)3(7,8)4(9,10)2(11)12/h1H,(H,11,12)

InChIKey

ACPUHIQZFSBBGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 679-12-9

CID: 1752534

Formula: C4H2F6O2

MW: 196.05

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.05
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	195.99589827
Monoisotopic Mass	195.99589827
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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4-hydrohexafluorobutanoic acid

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