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CAS 392-56-3 Hexafluorobenzene molecular structure lightbox
CAS RN: 392-56-3

Hexafluorobenzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 8-10 business days Inquiry
  • Product code: ICTH0085
  • Purity/Analytical Methods: >99.0%(GC)
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392-56-3 / 1,2,3,4,5,6-hexafluorobenzene

Standard CAS: 392-56-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
392-56-3
Multi CAS
Yes
Molecular Formula
C6F6
Molecular Weight
186.050000
Exact Mass
185.990419
InChI
InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; [Hawley] Colorless clear liquid; Melting point = 3.7-41 deg C
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
6
Molar refractivity
26.19
TPSA
0.0000

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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