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CAS 610-29-7 Nitroterephthalic Acid molecular structure lightbox
CAS RN: 610-29-7

Nitroterephthalic Acid

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100g In stock Inquiry
Batchno.20250408 25g In stock Inquiry
Batchno.20250529 500g In stock Inquiry
Batchno.20260309 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251114 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250305 1kg In stock Shanghai Inquiry
Batchno.20250923 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250108 500g In stock Shanghai, Tianjin Inquiry
Batchno.20260314 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-169713
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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, 10g, 25g, 100g
  • 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 610-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

610-29-7 / 2-nitroterephthalic acid

Standard CAS: 610-29-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
610-29-7
Multi CAS
Yes
Molecular Formula
C8H5NO6
Molecular Weight
211.130000
Exact Mass
211.011687
InChI
InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey
QUMITRDILMWWBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.02
TPSA
117.74

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.3

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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