Octafluorotoluene

CAT: 0572-TRC-O273130-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-O273130-50MGSize:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

434-64-0

Hazard Statement

Highly flammable liquid and vapour; UN number: UN1992; Packing Group: II

Smiles

Fc1c(F)c(F)c(c(F)c1F)C(F)(F)F

Molecular Formula

C7F8

Molecular Weight

236.06

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Octafluorotoluene

derivatizing agent for steroids in human plasma

CAS Number	434-64-0
PubChem CID	9906
IUPAC Name	1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
Molecular Formula	C7F8
Molecular Weight	236.06
XLogP	3.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	210

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F

InChI

InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10

InChIKey

USPWUOFNOTUBAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 434-64-0

CID: 9906

Formula: C7F8

MW: 236.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.06
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	235.98722530
Monoisotopic Mass	235.98722530
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	210
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

Catalog	Name
O00790-01	Octafluorotoluene
S-2861	Octafluorotoluene - 1ML