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CAS 62-23-7 4-Nitrobenzoic Acid molecular structure lightbox
CAS RN: 62-23-7

4-Nitrobenzoic Acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251226 2g In stock Inquiry
  • Product code: SSC-170998
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Verified Factory Data

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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, 5000g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 62-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 5 In Stock Shenzhen Inquiry
1000g ≥98% 5 In Stock Shanghai Inquiry
5000g ≥98% 5 In Stock Shenzhen Inquiry

62-23-7 / 4-nitrobenzoic acid

Standard CAS: 62-23-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62-23-7
Multi CAS
Yes
Molecular Formula
C7H5NO4
Molecular Weight
167.120000
Exact Mass
167.021858
InChI
InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKey
OTLNPYWUJOZPPA-UHFFFAOYSA-N

Physical Properties

Melting Point
468 °F (NTP, 1992) Sublimes 242 °C
Boiling Point
Sublimes (NTP, 1992)
Density
1.55 at 90 °F (NTP, 1992) - Denser than water; will sink 1.5997 1.61 g/cm³
Physical Description
P-nitrobenzoic acid appears as odorless pale yellow crystals. (NTP, 1992) Liquid; Pellets or Large Crystals Yellowish-white solid; [Hawley] Yellow crystalline powder; WHITE-TO-YELLOW CRYSTALS.
Appearance
Monoclinic leaf from water crystallization Monoclinic leaflets, plates from benzene crystallization Colorless crystals Yellow-white crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.06
TPSA
80.44

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.9
Consensus LogP
1.44
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.82

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

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