2-Chloro-4-methoxy-1-nitrobenzene

Basic Information

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CAS Number

28987-59-9

Molecular Formula

C7H6ClNO3

Molecular Weight

187.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

302.5°C at 760 mmHg

SMILES

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COC1=CC(=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

InChIKey

QTIDRIQSPAELJC-UHFFFAOYSA-N

LogP

2.78000

Complexity

171

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Chloro-4-methoxy-1-nitrobenzene
2-CHLORO-4-METHOXYNITROBENZENE
2-chloro-4-methoxy-1-nitro-benzene
2-Chloro-6-methoxy-3-nitrobenzene
3-chloro-4-nitroanisole
para-nitro-meta-chloroanisole
QTIDRIQSPAELJC-UHFFFAOYSA-N
Benzene, 2-chloro-4-methoxy-1-nitro-
2-chloro-4-methoxy nitrobenzene
SBB090636
2-Chloro-4-methoxy-1-nitrobenzene #
NE56486
MB00782
ST2404323
987C599
SCHEMBL1629413
2-Chloro-4-methoxynitrobenzene
AKOS009493275
AS-60129
EN300-106433
3-Chloro-4-nitroanisole
CS-0028772
s10425
28987-59-9
MFCD00156594
DTXSID50343999
SY103861
AC-24714
AN-584/43422703
A876566

MDL Number

MFCD00156594

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9)?

2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9) is a solid at room temperature with a crystalline form. It has a molecular weight of approximately 210.04 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, especially with reducing agents and bases. It can undergo nitro reduction, chlorination, and methoxy elimination reactions under controlled conditions.

How is 2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9) typically synthesized?

2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9) is commonly synthesized by the nitration of 2-chloro-4-methoxybenzene. This is typically carried out in the presence of concentrated sulfuric acid as a catalyst. The reaction is performed at low temperature to control the rate of nitration. Selectivity and yield are influenced by the reaction temperature and the concentration of the reactants.

What industries use 2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9)?

2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9) is primarily used in the pharmaceutical industry for the synthesis of various intermediates and active pharmaceutical ingredients. It is also utilized in the production of dyes and pigments due to its aromatic structure. Additionally, it can be employed in the development of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9)?

2-Chloro-4-methoxy-1-nitrobenzene (CAS: 28987-59-9) should be handled with caution due to its chemical reactivity. Always wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal procedures.