CAS 22233-52-9 3-CHLORO-2-NITROBENZALDEHYDE molecular structure

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CAS RN: 22233-52-9

3-CHLORO-2-NITROBENZALDEHYDE

Product code: SSC-107055

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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: 0.25g, 0.1g, 1g
Available purity: ≥95%
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 22233-52-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	--	2 In Stock	Hong Kong	Inquiry
0.25g	≥95%	2 In Stock	Shenzhen	Inquiry
0.1g	--	1 In Stock	Shanghai	Inquiry
0.1g	≥95%	1 In Stock	Shanghai	Inquiry
1g	--	0 Out of Stock	Shenzhen	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

22233-52-9 / 3-chloro-2-nitrobenzaldehyde

Standard CAS: 22233-52-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

22233-52-9

Multi CAS

Molecular Formula

C7H4ClNO3

Molecular Weight

185.560000

Exact Mass

184.987971

SMILES

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C=O

InChI

InChI=1S/C7H4ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H

InChIKey

WKHILFGJMAXBNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

43.49

TPSA

60.21

LogP / Solubility

WLOGP

2.06

MLOGP

1.81

XLogP3

1.8

Consensus LogP

1.89

Log S (ESOL)

-2.53

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.57

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.82

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.39

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 22233-52-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 22233-52-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.