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CAS 939-83-3 2-Methyl-5-nitrobenzonitrile molecular structure lightbox
CAS RN: 939-83-3

2-Methyl-5-nitrobenzonitrile

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100g In stock Inquiry
Batchno.20250221 1g In stock Inquiry
Batchno.20260226 25g In stock Inquiry
Batchno.20260522 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-208408
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 100g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 939-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Beijing Inquiry
10g >97% 1 In Stock Shanghai Inquiry
100g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

939-83-3 / 2-methyl-5-nitrobenzonitrile

Standard CAS: 939-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
939-83-3
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
InChI
InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChIKey
XOSDYLFXPMFRGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.55
TPSA
66.93

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.45

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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