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CAS 13600-42-5 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile molecular structure lightbox
CAS RN: 13600-42-5

2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 100g In stock Inquiry
Batchno.20260101 1g In stock Inquiry
Batchno.20251228 25g In stock Inquiry
Batchno.20250813 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 5g / 10g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-044623
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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, 5g, 10g, 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 13600-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

13600-42-5 / 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

Standard CAS: 13600-42-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13600-42-5
Multi CAS
No
Molecular Formula
C7HCl2F3N2
Molecular Weight
240.990000
Exact Mass
239.946888
SMILES
C1=C(C(=C(N=C1Cl)Cl)C#N)C(F)(F)F
InChI
InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKey
WRXXBTBGBXYHSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
43.97
TPSA
36.68

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.4
Consensus LogP
3.19
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.86

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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