1-(4-Nitrophenyl)ethanol

Basic Information

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CAS Number

6531-13-1

Molecular Formula

C8H9NO3

Molecular Weight

167.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

30-32 ºC

Density

1.263±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3

InChIKey

CRJFHXYELTYDSG-UHFFFAOYSA-N

LogP

2.17130

Complexity

158

Synonyms & References

English

1-(4-Nitrophenyl)ethanol
(4-nitrophenyl)-ethanol
1-(4-nitrophenyl)ethan-1-ol
1-(4-nitrophenyl)-ethanol
4-(NO2)C6H4CH(OH)Me
4-nitrophenyl(methyl)carbinol
p-nitrophenylethanol
Methyl(p-nitrophenyl)carbinol
p-Nitro-alpha-phenylethanol
alpha-Methyl-p-nitrobenzyl alcohol
MFCD00024762
(+)-1-(4-nitrophenyl)ethanol
1-(4-Nitrophenyl)ethanol #
AKOS016899319
6531-13-1
CS-0099979
A800085
DTXSID20343805
BENZENEMETHANOL, ALPHA-METHYL-4-NITRO-, (ALPHAS)-
SCHEMBL298339
alpha-methyl-4-nitrobenzenemethanol
LS-07357
E85637
DB-054796
4-nitro-phenylethanol
4-nitrophenylethanol
EN300-44065
a-Methyl-4-nitrobenzenemethanol
(+/-)-1-(4-nitrophenyl)ethanol
Benzenemethanol, .alpha.-methyl-4-nitro-
Z228586132

MDL Number

MFCD00024762

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1)?

1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1) is a colorless liquid with a molecular weight of 190.13 g/mol. It has a pKa of approximately 9.5 and a boiling point of 220°C. The compound is slightly soluble in water but miscible with common organic solvents. It is mildly reactive towards bases and oxidizing agents.

How is 1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1) typically synthesized?

1-(4-Nitrophenyl)ethanol is typically synthesized by the nitration of 1-phenylethanol followed by hydrolysis. This involves treating 1-phenylethanol with a mixture of concentrated sulfuric acid and nitric acid under controlled temperature conditions. The nitration step requires careful monitoring to achieve the desired yield and selectivity.

What industries use 1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1)?

1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1) is used in the pharmaceutical industry for the synthesis of certain drug molecules. It is also utilized in the chemical industry for the production of dyes and pigments. Additionally, it serves as a reagent in polymer chemistry and as a precursor in the development of sensors and semiconductors.

What precautions should be taken when handling 1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1)?

When handling 1-(4-Nitrophenyl)ethanol (CAS: 6531-13-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. In case of a spill, immediately clean up with appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for more detailed handling instructions.