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CAS 1095-77-8 2,2-Bis(4-methylphenyl)hexafluoropropane molecular structure lightbox
CAS RN: 1095-77-8

2,2-Bis(4-methylphenyl)hexafluoropropane

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250319 25g Out of stock 5-7 business days Inquiry
Batchno.20250429 5g In stock Shanghai Inquiry
  • Product code: SSC-010887
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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: 25g
  • Available purity: ≥95%
  • 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 1095-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1095-77-8 / 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

RefChem:409018 | 1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene) | 2,2-Bis(4-methylphenyl)hexafluoropropane

Standard CAS: 1095-77-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1095-77-8
Multi CAS
No
Molecular Formula
C17H14F6
Molecular Weight
332.280000
Exact Mass
332.099969
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
OWEIAGSMFHSSES-UHFFFAOYSA-N
Synonyms
RefChem:409018 1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene) 2,2-Bis(4-methylphenyl)hexafluoropropane 4,4'-(Perfluoropropane-2,2-diyl)bis(methylbenzene) 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
75.25
TPSA
0.0000

LogP / Solubility

WLOGP
5.71
MLOGP
5.04
XLogP3
6.6
Consensus LogP
5.78
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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