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CAS 1868-00-4 3,3′-Bis(trifluoromethyl)benzophenone molecular structure lightbox
CAS RN: 1868-00-4

3,3′-Bis(trifluoromethyl)benzophenone

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260130 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250311 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250802 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250620 25g In stock Shanghai Inquiry
Batchno.20260614 5g In stock Shanghai Inquiry
  • Product code: SSC-086825
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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
  • Available purity: ≥98%
  • 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 1868-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

1868-00-4 / bis[3-(trifluoromethyl)phenyl]methanone

Standard CAS: 1868-00-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1868-00-4
Multi CAS
No
Molecular Formula
C15H8F6O
Molecular Weight
318.210000
Exact Mass
318.047934
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H8F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8H
InChIKey
POOXOHISLGOAEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.32
TPSA
17.07

LogP / Solubility

WLOGP
4.96
MLOGP
4.37
XLogP3
5
Consensus LogP
4.78
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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