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CAS 433-95-4 1,2-Bis(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 433-95-4

1,2-Bis(trifluoromethyl)benzene

  • Product code: SSC-151562
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 433-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

433-95-4 / 1,2-bis(trifluoromethyl)benzene

Standard CAS: 433-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
433-95-4
Multi CAS
Yes
Molecular Formula
C8F6H4
Molecular Weight
214.110000
Exact Mass
214.021719
InChI
InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H
InChIKey
XXZOEDQFGXTEAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
6
Molar refractivity
36.45
TPSA
0.0000

LogP / Solubility

WLOGP
3.72
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.57
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

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

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