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CAS 459-47-2 1-ETHYL-4-FLUOROBENZENE molecular structure lightbox
CAS RN: 459-47-2

1-ETHYL-4-FLUOROBENZENE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 100g In stock Inquiry
Batchno.20260504 1g In stock Inquiry
Batchno.20250403 25g In stock Inquiry
Batchno.20250112 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-153501
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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: ＞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 459-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

459-47-2 / 1-fluoro-2,3-dimethylbenzene

Standard CAS: 459-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
459-47-2
Multi CAS
Yes
Molecular Formula
C8FH9
Molecular Weight
124.150000
Exact Mass
124.068828
InChI
InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey
AWLDSXJCQWTJPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
Molar refractivity
35.87
TPSA
0.0000

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
3.1
Consensus LogP
2.56
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-1.74

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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