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CAS 668-45-1 2-Chloro-6-fluorobenzonitrile molecular structure lightbox
CAS RN: 668-45-1

2-Chloro-6-fluorobenzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260126 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai, Hebei 5-7 business days Inquiry
  • Product code: SSC-176451
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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: ≥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 668-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

668-45-1 / 2-chloro-6-fluorobenzonitrile

Standard CAS: 668-45-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
668-45-1
Multi CAS
Yes
Molecular Formula
C7H3CLFN
Molecular Weight
155.550000
Exact Mass
154.993805
InChI
InChI=1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
XPTAYRHLHAFUOS-UHFFFAOYSA-N

Physical Properties

Physical Description
Crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.13
TPSA
23.79

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2

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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