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CAS 89634-77-5 1,4-Dichloro-2-fluoro-5-(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 89634-77-5

1,4-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-201660
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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: 1g
  • 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 89634-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89634-77-5 / 1,4-dichloro-2-fluoro-5-(trifluoromethyl)benzene

Standard CAS: 89634-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89634-77-5
Multi CAS
No
Molecular Formula
C7H2CL2F4
Molecular Weight
232.990000
Exact Mass
231.946968
InChI
InChI=1S/C7H2Cl2F4/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H
InChIKey
DXXZFKXKWLVECJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
4
Molar refractivity
41.42
TPSA
0.0000

LogP / Solubility

WLOGP
4.15
MLOGP
3.66
XLogP3
4.5
Consensus LogP
4.1
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-1.19

Drug-likeness / Medicinal Chemistry

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

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