2-Nitrobenzylcyanide | CAS No. 610-66-2

Q: What are the physical and chemical properties of 2-Nitrobenzylcyanide (CAS: 610-66-2)?

2-Nitrobenzylcyanide (CAS: 610-66-2) is a crystalline compound with a molecular weight of approximately 197.08 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is highly reactive, capable of undergoing nitration and reduction reactions. It is often used in organic synthesis for its reactivity and specific functional groups.

Q: How is 2-Nitrobenzylcyanide (CAS: 610-66-2) typically synthesized?

2-Nitrobenzylcyanide (CAS: 610-66-2) is typically synthesized via the nitration of benzylcyanide followed by the introduction of a nitro group. Common methods include nitration with fuming nitric acid or concentrated nitric acid in the presence of sulfuric acid as a catalyst. The reaction is usually conducted at low temperatures to improve selectivity and yield.

Q: What industries use 2-Nitrobenzylcyanide (CAS: 610-66-2)?

2-Nitrobenzylcyanide (CAS: 610-66-2) finds applications in various industries. It is primarily used in pharmaceuticals for the synthesis of certain drugs, in polymers for functionalizing materials, and in sensors for detection of specific analytes. Additionally, it plays a role in the development of semiconductors and as a reagent in organic synthesis.

Q: What precautions should be taken when handling 2-Nitrobenzylcyanide (CAS: 610-66-2)?

When handling 2-Nitrobenzylcyanide (CAS: 610-66-2), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled carefully, using appropriate absorbents, and the area should be cleaned thoroughly. Refer to the Safety Data Sheet (SDS) for further detailed safety information.

2-Nitrobenzylcyanide

Basic Information

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CAS Number

610-66-2

Molecular Formula

C8H6N2O2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

82.0 to 86.0 deg-C

Boiling Point

178°C/12mmHg

Density

1.3264 (rough estimate)

Water Solubility

<0.01 g/100 mL at 20 ºC

Flash Point

138℃

Refractive Index

1.5770 (estimate)

SMILES

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

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

213

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

NCIOpen2_002167
(o-Nitrophenyl)acetonitrile
O-NITROPHENYLACETONITRILE
DTXCID905768
GS-3235
InChI=1/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H
NCGC00090864-01
FT-0600959
2-Nitrobenzyl Cyanide
UNII-7859F455K6
2-(2-nitrophenyl)-acetonitrile
AM20050042
NCGC00090864-02
CCRIS 4681
DTXSID7025768
(2-Nitrophenyl)acetonitrile
W-105204
SY006137
BCP32231
BB 0244243
NS00034550
BRN 1869400
NSC99338
Z56886385
o-Nitrophenyl acetonitrile
Tox21_200975
CS-W002025
AKOS000122139
2-Nitrobenzyl nitrile
610-66-2
2-Nitrobenzeneacetonitrile

MDL Number

MFCD00007183

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Nitrobenzylcyanide (CAS: 610-66-2)?

2-Nitrobenzylcyanide (CAS: 610-66-2) is a crystalline compound with a molecular weight of approximately 197.08 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is highly reactive, capable of undergoing nitration and reduction reactions. It is often used in organic synthesis for its reactivity and specific functional groups.

How is 2-Nitrobenzylcyanide (CAS: 610-66-2) typically synthesized?

2-Nitrobenzylcyanide (CAS: 610-66-2) is typically synthesized via the nitration of benzylcyanide followed by the introduction of a nitro group. Common methods include nitration with fuming nitric acid or concentrated nitric acid in the presence of sulfuric acid as a catalyst. The reaction is usually conducted at low temperatures to improve selectivity and yield.

What industries use 2-Nitrobenzylcyanide (CAS: 610-66-2)?

2-Nitrobenzylcyanide (CAS: 610-66-2) finds applications in various industries. It is primarily used in pharmaceuticals for the synthesis of certain drugs, in polymers for functionalizing materials, and in sensors for detection of specific analytes. Additionally, it plays a role in the development of semiconductors and as a reagent in organic synthesis.

What precautions should be taken when handling 2-Nitrobenzylcyanide (CAS: 610-66-2)?

When handling 2-Nitrobenzylcyanide (CAS: 610-66-2), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled carefully, using appropriate absorbents, and the area should be cleaned thoroughly. Refer to the Safety Data Sheet (SDS) for further detailed safety information.