Nitro(~13~C_6_)benzene

Basic Information

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CAS Number

89059-37-0

Molecular Formula

13C6H5NO2

Molecular Weight

129.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

5-6 °C

Boiling Point

210-211 °C

Density

1.253 g/mL at 25 °C

Flash Point

88 °C

Refractive Index

n20/D 1.553(lit.)

SMILES

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

InChI

InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

LQNUZADURLCDLV-IDEBNGHGSA-N

Complexity

102

Synonyms & References

English

Nitrobenzene-13C6
Nitrobenzene-13C6, 99 atom % 13C
DTXSID10480612
NITROBENZENE-1,2,3,4,5,6-13C6
Nitrobenzene(13c6)
Benzene-1,2,3,4,5,6-13C6, 1-nitro-; Benzene-13C6, nitro- (9CI); 1-Nitrobenzene-1,2,3,4,5,6-13C6; Nitrobenzene-13C6; Nitrobenzene 13C6
Nitrobenzene 13C6 100 microg/mL in Methanol
nitro(1,2,3,4,5,6-13C6)cyclohexatriene
AT35727
SCHEMBL1330714
89059-37-0
Benzene-1,2,3,4,5,6-13C6,1-nitro-

MDL Number

MFCD00144924

FAQ

What are the physical and chemical properties of Nitro(~13~C_6_)benzene (CAS: 89059-37-0)?

Nitro(~13~C_6_)benzene (CAS: 89059-37-0) is a crystalline compound with a molecular weight of approximately 150.12 g/mol. It has a low solubility in water but is soluble in organic solvents such as benzene and toluene. The compound is known for its high reactivity towards nucleophilic substitution and reduction reactions.

How is Nitro(~13~C_6_)benzene (CAS: 89059-37-0) typically synthesized?

Nitro(~13~C_6_)benzene (CAS: 89059-37-0) is typically synthesized by the nitration of toluene with concentrated nitric acid and sulfuric acid. The reaction is carried out under controlled conditions to achieve the desired yield and selectivity. Commonly, the reaction mixture is heated to around 50°C and the mixture is then washed and purified.

What industries use Nitro(~13~C_6_)benzene (CAS: 89059-37-0)?

Nitro(~13~C_6_)benzene (CAS: 89059-37-0) is used in various industries including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also used in the production of dyes, plastics, and as a reagent in organic synthesis.

What precautions should be taken when handling Nitro(~13~C_6_)benzene (CAS: 89059-37-0)?

When handling Nitro(~13~C_6_)benze (CAS: 89059-37-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that all operations are performed in a well-ventilated area or a fume hood. Spills should be handled carefully and according to the Material Safety Data Sheet (MSDS) guidelines. It is crucial to follow all safety protocols and disposal procedures to prevent exposure and environmental contamination.