[email protected]
CAS 619-72-7 4-Nitrobenzonitrile molecular structure lightbox
CAS RN: 619-72-7

4-Nitrobenzonitrile

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100g In stock Shanghai, Shandong Inquiry
Batchno.20250804 1kg Out of stock 8-10 business days Inquiry
Batchno.20250624 250g In stock Shanghai Inquiry
Batchno.20251214 25g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-170908
GET A QUOTE
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: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 619-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

619-72-7 / 4-nitrobenzonitrile

Standard CAS: 619-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
619-72-7
Multi CAS
No
Molecular Formula
C7H4N2O2
Molecular Weight
148.120000
Exact Mass
148.027277
InChI
InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
InChIKey
NKJIFDNZPGLLSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.81
TPSA
66.93

LogP / Solubility

WLOGP
1.47
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.58

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

Customers Also Viewed

Get In Touch

Contact Us