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CAS 552-89-6 2-Nitrobenzaldehyde molecular structure lightbox
CAS RN: 552-89-6

2-Nitrobenzaldehyde

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-163037
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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
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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 552-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
500g ≥98% 5 In Stock Beijing Inquiry
1000g ≥98% 5 In Stock Shenzhen Inquiry

552-89-6 / 2-nitrobenzaldehyde

Standard CAS: 552-89-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
552-89-6
Multi CAS
Yes
Molecular Formula
C7H5NO3
Molecular Weight
151.120000
Exact Mass
151.026943
InChI
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
InChIKey
CMWKITSNTDAEDT-UHFFFAOYSA-N

Physical Properties

Physical Description
Partially soluble in water (2.32 g/L at 25 deg C); [ChemIDplus] Yellow crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.48
TPSA
60.21

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.7
Consensus LogP
1.45
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

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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