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CAS 450-96-4 1-Chloro-2-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 450-96-4

1-Chloro-2-(trifluoromethoxy)benzene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251127 100g In stock Inquiry
Batchno.20260629 25g In stock Inquiry
Batchno.20251011 500g In stock Inquiry
Batchno.20251019 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-152882
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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, 100g
  • 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 450-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

450-96-4 / 1-chloro-2-(trifluoromethoxy)benzene

Standard CAS: 450-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
450-96-4
Multi CAS
No
Molecular Formula
C7H4CLF3O
Molecular Weight
196.550000
Exact Mass
195.990277
InChI
InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKey
NZRLCYJRHKUVCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.14
TPSA
9.23

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.9
Consensus LogP
3.33
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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