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CAS 528-45-0 3,4-Dinitrobenzoic Acid molecular structure lightbox
CAS RN: 528-45-0

3,4-Dinitrobenzoic Acid

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250512 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250112 100g In stock Inquiry
Batchno.20250121 1g In stock Inquiry
Batchno.20260529 25g In stock Inquiry
Batchno.20251125 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250117 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260314 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250410 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-159935
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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: 5g
  • Available purity: ≥98%
  • 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 528-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

528-45-0 / 3,4-dinitrobenzoic acid

Standard CAS: 528-45-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
528-45-0
Multi CAS
No
Molecular Formula
C7H4N2O6
Molecular Weight
212.120000
Exact Mass
212.006936
InChI
InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChIKey
OMVRRHJJQILIJX-UHFFFAOYSA-N

Physical Properties

Physical Description
Off-white or yellow crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.71
TPSA
123.58

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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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