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2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro-, with the molecular formula C7H7N3O5, is a yellow crystalline solid that serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. Its chemical structure allows for the preparation of various aromatic compounds, making it valuable in organic synthesis. However, due to its toxic nature upon ingestion or inhalation, and its potential to cause skin and eye irritation, as well as being an environmental hazard, it requires careful handling and proper disposal.

112251-86-2

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112251-86-2 Usage

Uses

Used in Pharmaceutical Industry:
2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitrois used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its ability to be transformed into different aromatic structures makes it a valuable component in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitrois utilized as an intermediate in the production of pesticides and other agrochemicals, contributing to the development of effective solutions for crop protection and management.
Used in Organic Synthesis:
2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitrois employed as a key component in the preparation of a range of aromatic compounds. Its versatility in organic synthesis allows for the creation of diverse chemical entities for various applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 112251-86-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,2,5 and 1 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 112251-86:
(8*1)+(7*1)+(6*2)+(5*2)+(4*5)+(3*1)+(2*8)+(1*6)=82
82 % 10 = 2
So 112251-86-2 is a valid CAS Registry Number.

112251-86-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methyl-3,4-dinitrocyclohexa-2,5-dien-1-one

1.2 Other means of identification

Product number -
Other names 2,5-Cyclohexadien-1-one,4-methyl-3,4-dinitro

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:112251-86-2 SDS

112251-86-2Downstream Products

112251-86-2Relevant academic research and scientific papers

ipso NITRATION. XXIX. NITRATION OF SUBSTITUTED 4-METHYLANISOLES AND PHENOLS

Fischer, Alfred,Henderson, George N.,RayMahasay, Sumit

, p. 1233 - 1240 (2007/10/02)

Nitration of 2-chloro-4-methylanisole (1a) in acetic anhydride gives (Z)-4-chloro-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2a), 2-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (3a), and 2-chloro-4-methyl-6-nitroanisole (4a).Similarly 2-bromo-4-methylanisole (1b) gives (Z)-4-bromo-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2b), 2-bromo-4-methyl-4-nitrocyclohexa-2,5-dienone (3b), and 2-bromo-4-methyl-6-nitroanisole (4b), whereas 4-methyl-2-nitro-anisole (1c) gives (Z)-3-methoxy-6-methyl-4,6-dinitrocyclohexa-2,4-dienyl acetate (2c), (Z)-3-methoxy-6-methyl-2,6-dinitrocyclohexa-2,4-dienyl acetate (7), and 4-methyl-2,6-dinitroanisole (4c).Nitration of 3-chloro-4-methylanisole (9a) gives 3-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (10a), 3-chloro-4-methyl-2-nitro anisole (11a), and 5-chloro-4-methyl-2-nitroanisole (12a), and 4-methyl-3-nitroanisole (9c) gives (Z)-3-methoxy-6-methyl-5,6-dinitrocyclohexa-2,4-dienyl acetate (13), 4-methyl-2,3-dinitroanisole (11c), and 4-methyl-2,5-dinitroanisole (12c).Nitration of 2-chloro-4-methylphenol (14) in chloroform gives 3a and 2-chloro-4-methyl-6-nitrophenol (5a), and 3-chloro-4-methylphenol (15) gives dienone 10a, 3-chloro-4-methyl-2-nitrophenol (16), and 5-chloro-4-methyl-2-nitrophenol (17).

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