CAS 77158-86-2

(3-chloro-2-nitrophenyl)methanol

Description:

(3-Chloro-2-nitrophenyl)methanol is an organic compound characterized by its phenolic structure, which includes a chlorinated and nitro-substituted aromatic ring. The presence of the hydroxymethyl group (-CH2OH) indicates that it is an alcohol, contributing to its reactivity and potential applications in organic synthesis. The chlorine atom introduces a halogen functionality, which can enhance the compound's electrophilic properties, while the nitro group (-NO2) is known for its strong electron-withdrawing effects, influencing the compound's reactivity and stability. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the hydroxyl group. Its chemical properties make it of interest in various fields, including pharmaceuticals and agrochemicals, where it may serve as an intermediate in the synthesis of more complex molecules. Safety considerations should be taken into account, as both chlorine and nitro groups can impart toxicity and environmental concerns. Proper handling and disposal protocols are essential when working with this compound.

Formula: C₇H₆ClNO₃

InChI: InChI=1/C7H6ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2

SMILES: c1cc(CO)c(c(c1)Cl)N(=O)=O

Synonyms:

• 3-Chloro-2-nitrobenzyl alcohol

(3-chloro-2-nitrophenyl)methanol

CAS: 77158-86-2

Formula: C₇H₆ClNO₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 187.5804

Ref: IN-DA003BRR

3-Chloro-2-nitrobenzylalcohol

CAS: 77158-86-2

Ref: 7W-GK9662

3-Chloro-2-nitrobenzyl alcohol

CAS: 77158-86-2

3-Chloro-2-nitrobenzyl alcohol

Purity: 97%

Molecular weight: 187.58g/mol

Ref: 54-OR401018

(3-Chloro-2-nitrophenyl)methanol

CAS: 77158-86-2

Formula: C₇H₆ClNO₃

Purity: 98%

Molecular weight: 187.58

Ref: 10-F459324

3-Chloro-2-nitrobenzyl alcohol

CAS: 77158-86-2

3-Chloro-2-nitrobenzyl alcohol is a chemical compound that has a molecular formula of C6H5ClNO2. This substance was synthesized by the reaction of 3-chloro-2-nitrobenzyl chloride with sodium hydroxide in methanol. The optimized geometry and vibrational frequencies were calculated using density functional theory (DFT) and theory of Raman scattering. The IR spectra were measured with Fourier transform infrared (FTIR) spectroscopy, which showed that the compound has a strong absorption in the region from 2,600 to 2,800 cm−1.

Formula: C₇H₆ClNO₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 187.58 g/mol

Ref: 3D-FC55539