[email protected]
CAS 96-99-1 4-Chloro-3-nitrobenzoic Acid molecular structure lightbox
CAS RN: 96-99-1

4-Chloro-3-nitrobenzoic Acid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260412 2.5kg In stock Shanghai Inquiry
Batchno.20250629 25g In stock Shanghai, Shandong Inquiry
Batchno.20260116 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-211802
GET A QUOTE
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: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 96-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 3 In Stock Shanghai Inquiry
1000g ≥98% 1 In Stock Shanghai Inquiry

96-99-1 / 4-chloro-3-nitrobenzoic acid

Standard CAS: 96-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96-99-1
Multi CAS
Yes
Molecular Formula
C7H4CLNO4
Molecular Weight
201.560000
Exact Mass
200.982885
InChI
InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
DFXQXFGFOLXAPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.07
TPSA
80.44

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.57

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

Customers Also Viewed

Get In Touch

Contact Us