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CAS 103879-31-8 3,5-DICHLORO-4-FLUOROBENZONITRILE molecular structure lightbox
CAS RN: 103879-31-8

3,5-DICHLORO-4-FLUOROBENZONITRILE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260105 100g In stock Inquiry
Batchno.20250430 1g In stock Inquiry
Batchno.20260220 25g In stock Inquiry
Batchno.20250301 5g In stock Inquiry
  • Product code: SSC-005527
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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: 10g
  • 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 103879-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

103879-31-8 / 3,5-dichloro-4-fluorobenzonitrile

3,5-Dichloro-4-fluorobenzonitrile | VLA4CG2Y8U | 4-Fluoro-3,5-dichlorobenzonitrile

Standard CAS: 103879-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103879-31-8
Multi CAS
Yes
Molecular Formula
C7H2Cl2FN
Molecular Weight
190.000000
Exact Mass
188.954833
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)C#N
InChI
InChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
InChIKey
RIOPZMHLYZUNFX-UHFFFAOYSA-N
Synonyms
3,5-Dichloro-4-fluorobenzonitrile VLA4CG2Y8U 4-Fluoro-3,5-dichlorobenzonitrile Benzonitrile, 3,5-dichloro-4-fluoro- DTXSID60545745

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
41.14
TPSA
23.79

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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