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CAS 5326-34-1 4-Bromo-3-nitrotoluene molecular structure lightbox
CAS RN: 5326-34-1

4-Bromo-3-nitrotoluene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260509 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100g In stock Shanghai, Shandong Inquiry
Batchno.20260318 25g In stock Shanghai, Guangdong Inquiry
Batchno.20251123 500g In stock Shanghai Inquiry
  • Product code: SSC-160483
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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: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 5326-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

5326-34-1 / 1-bromo-4-methyl-2-nitrobenzene

Standard CAS: 5326-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5326-34-1
Multi CAS
Yes
Molecular Formula
BC7H6O2Rn
Molecular Weight
216.030000
Exact Mass
214.958190
InChI
InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey
UPBUTKQMDPHQAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.53
TPSA
43.14

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.15

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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