[email protected]
CAS 96-98-0 4-Methyl-3-nitrobenzoic Acid molecular structure lightbox
CAS RN: 96-98-0

4-Methyl-3-nitrobenzoic Acid

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 100g In stock Shanghai, Chongqing Inquiry
Batchno.20260428 25g In stock Shanghai, Shandong Inquiry
Batchno.20250110 500g Out of stock 5-7 business days Inquiry
  • Product code: SSC-211801
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: 100g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 96-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 1 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

96-98-0 / 4-methyl-3-nitrobenzoic acid

Standard CAS: 96-98-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
96-98-0
Multi CAS
Yes
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
InChI
InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey
BBEWSMNRCUXQRF-UHFFFAOYSA-N

Physical Properties

Melting Point
369 to 374 °F (NTP, 1992)
Physical Description
Prismatic crystals or off-white powder. (NTP, 1992) Solid; [CAMEO] Light yellow crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.79
TPSA
80.44

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.9
Consensus LogP
1.64
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.69

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

Customers Also Viewed

Get In Touch

Contact Us