3-Oxo-3-phenylpropanenitrile

Basic Information

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CAS Number

614-16-4

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

82-83 °C

Boiling Point

160 °C/10 mmHg

Density

1.1555 (rough estimate)

Flash Point

159-160℃/10mm

Refractive Index

1.4500 (estimate)

SMILES

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C1=CC=C(C=C1)C(=O)CC#N

InChI

InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

ZJRCIQAMTAINCB-UHFFFAOYSA-N

LogP

1.78298

Complexity

183

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

beta-Oxohydrocinnamonitrile
Benzoylacetonitrile, 99%
NSC4713
HMS1409I03
J-513011
ss--Oxohydrocinnamonitrile
3-Oxo-3-phenylpropionitrile
Benzoylacetonitrile
alpha-Cyanoacetophenone
AC-20652
A8519
EINECS 210-369-1
2-Cyanoacetophenone
Cyanoacetophenone
I(2)-Oxobenzene-propanenitrile
DTXSID7060629
ZJRCIQAMTAINCB-UHFFFAOYSA-
3-Oxo-3-phenylpropanenitrile
AFI9JB57H3
beta-oxo-2-benzenepropanenitrile
Cyanomethyl phenyl ketone
.omega.-Cyanoacetophenone
SB40622
AM20060386
NS00034680
A833208
Q-101252
InChI=1/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
FT-0612106
Hydrocinnamonitrile, .beta.-oxo-
2-Cyanoacetyl phenone

MDL Number

MFCD00001942

Customs Code

2926909090

FAQ

What is 3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4)?

3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) is an organic compound with the molecular formula C9H7NO2. It is a colorless to white crystalline solid with a pungent odor. It is soluble in common organic solvents and has a melting point of 85-87°C.

What are the main uses of 3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4)?

3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) is primarily used as a precursor in the synthesis of other organic compounds, particularly in pharmaceutical and chemical industries. It is also used in the preparation of dyes and pigments.

Is 3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) safe?

3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) is considered safe under normal handling conditions when appropriate safety measures are taken. It is important to wear protective gloves and eyewear to avoid skin contact and eye irritation. Inhalation and ingestion can be hazardous, so ensure adequate ventilation and avoid ingesting the compound.

How should 3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) be stored?

3-Oxo-3-phenylpropanenitrile (CAS: 614-16-4) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. Store it in a well-ventilated area and ensure proper labeling for safety purposes.