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CAS 5866-98-8 2,6-DICHLORO-3-NITROBENZONITRILE molecular structure lightbox
CAS RN: 5866-98-8

2,6-DICHLORO-3-NITROBENZONITRILE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 100g In stock Inquiry
Batchno.20260523 1g In stock Inquiry
Batchno.20250527 25g In stock Inquiry
Batchno.20251207 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250306 1g / 5g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-166981
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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: ≥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 5866-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

5866-98-8 / 2,6-dichloro-3-nitrobenzonitrile

Standard CAS: 5866-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5866-98-8
Multi CAS
Yes
Molecular Formula
C7H2CL2N2O2
Molecular Weight
217.010000
Exact Mass
215.949333
InChI
InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
InChIKey
NSKVWZIEYFSHIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.83
TPSA
66.93

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.07

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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