CAS 51762-67-5 3-Nitrophthalonitrile molecular structure

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CAS RN: 51762-67-5

3-Nitrophthalonitrile

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250904	100g	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20250703	10g	In stock	Shanghai, Tianjin	Inquiry
Batchno.20251128	1kg	In stock	Shanghai, Tianjin	Inquiry
Batchno.20250203	25g	In stock	Shanghai, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250703	500g	In stock	Shanghai, Tianjin, Chengdu	Inquiry
Batchno.20251005	5g	In stock	Shanghai, Wuhan	Inquiry

Product code: SSC-158710

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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: 5g, 10g, 25g, 100g, 1g, 500g
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 51762-67-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥98%	5 In Stock	Shenzhen	Inquiry
10g	≥98%	5 In Stock	Shenzhen	Inquiry
25g	≥98%	5 In Stock	Shenzhen	Inquiry
100g	≥98%	5 In Stock	Shenzhen	Inquiry
1g	≥98%	1 In Stock	Hong Kong	Inquiry
500g	≥98%	0 Out of Stock	Shanghai	Inquiry

51762-67-5 / 3-nitrobenzene-1,2-dicarbonitrile

Standard CAS: 51762-67-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

51762-67-5

Multi CAS

Yes

Molecular Formula

C8H3N3O2

Molecular Weight

173.130000

Exact Mass

173.022526

InChI

InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H

InChIKey

UZJZIZFCQFZDHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

42.53

TPSA

90.72

LogP / Solubility

WLOGP

1.34

MLOGP

1.17

XLogP3

0.7

Consensus LogP

1.07

Log S (ESOL)

-2.03

Class (ESOL)

Moderately soluble

Log S (Ali)

-1.95

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.02

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.83

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 51762-67-5

This compound is commonly used in materials science and advanced materials development. Starshine Chemical supplies CAS 51762-67-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

3-nitrobenzene-1,2-dicarbonitrile

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

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.