CAS 1450-76-6 2′-Hydroxy-5′-nitroacetophenone molecular structure

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CAS RN: 1450-76-6

2′-Hydroxy-5′-nitroacetophenone

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251007	1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong, Guangdong	Inquiry

Product code: SSC-056384

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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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
Available purity: >97%
Inventory rows with stock: 8
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 1450-76-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	--	5 In Stock	Beijing	Inquiry
1g	>97%	5 In Stock	Shenzhen	Inquiry
5g	--	5 In Stock	Beijing	Inquiry
5g	>97%	5 In Stock	Shanghai	Inquiry
10g	--	1 In Stock	Beijing	Inquiry
10g	>97%	1 In Stock	Shanghai	Inquiry
25g	--	1 In Stock	Hong Kong	Inquiry
25g	>97%	1 In Stock	Hong Kong	Inquiry
100g	--	0 Out of Stock	Shanghai	Inquiry
100g	>97%	0 Out of Stock	Shanghai	Inquiry
500g	--	0 Out of Stock	Shanghai	Inquiry
500g	>97%	0 Out of Stock	Beijing	Inquiry
1000g	--	0 Out of Stock	Shenzhen	Inquiry

1450-76-6 / 1-(2-hydroxy-5-nitrophenyl)ethanone

Standard CAS: 1450-76-6 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1450-76-6

Multi CAS

Molecular Formula

C8H7NO4

Molecular Weight

181.150000

Exact Mass

181.037508

SMILES

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

InChI

InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3

InChIKey

LNCBPUWMGYOISS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

44.77

TPSA

80.44

LogP / Solubility

WLOGP

1.5

MLOGP

1.32

XLogP3

1.8

Consensus LogP

1.54

Log S (ESOL)

-2.12

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.13

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.32

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)

-2.76

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Applications of CAS 1450-76-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1450-76-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

1-(2-hydroxy-5-nitrophenyl)ethanone

Safety Information (GHS)

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary statements: P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Storage & Handling

Storage: Store under inert gas. Avoid: Air Sensitive. 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.