1-Benzyl-3-pyrrolidinone

Basic Information

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CAS Number

775-16-6

Molecular Formula

C11H13NO

Molecular Weight

175.23 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Liquid

Melting Point

77°C/0.01mmHg

Boiling Point

109°C/0.1mmHg

Density

1.091 g/mL at 25 °C

Refractive Index

n20/D 1.539(lit.)

SMILES

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C1CN(CC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

DHGMDHQNUNRMIN-UHFFFAOYSA-N

LogP

1.4614

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

185

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Class KEEP COLD Class KEEP COLD

Synonyms & References

English

EINECS 212-274-0
SY001207
Benzyl-3-pyrrolidinone
N-BENZYL-3-PYRROLIDONE
EN300-25862
BP-12654
1-(Phenylmethyl)-3-pyrrolidinone
PB19844
CS-W001967
F1993-0030
DTXSID60228203
N-Benzyl-3-pyrrolidinone
N-benzylpyrrolid-3-one
1-benzylpyrrolidin-3-one;1-Benzyl-3-pyrrolidinone
A23156
SCHEMBL266771
1-Benzyl-3-pyrrolidinone, 98%
AM20050515
NS00037925
3-Pyrrolidinone, 1-(phenylmethyl)-
1-Benzyl-pyrrolidin-3-one
U4F247KXW3
1-benzylpyrolidin-3-one
1-(Benzyl)pyrrolidin-3-one
AKOS001321110
FS-2426
1-benzylpyrrolidin-3-one
FT-0630296
1-Benzyl-3-pyrrolidinone
UNII-U4F247KXW3
AC-1028

MDL Number

MFCD00005342

Customs Code

2933990090

FAQ

What is 1-Benzyl-3-pyrrolidinone (CAS: 775-16-6)?

1-Benzyl-3-pyrrolidinone, with the CAS number 775-16-6, is a cyclic amide compound containing a pyrrolidone ring substituted with a benzyl group. It is known for its stability and is commonly used in organic synthesis. The chemical formula is C11H11NO2, and it typically appears as a white solid with a characteristic odor.

What are the main uses of 1-Benzyl-3-pyrrolidinone (CAS: 775-16-6)?

1-Benzyl-3-pyrrolidinone (CAS: 775-16-6) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, polymer science, and as an intermediate in the production of various chemicals. Its utility extends to research in biochemistry and materials science due to its reactivity and structural versatility.

Is 1-Benzyl-3-pyrrolidinone (CAS: 775-16-6) safe?

1-Benzyl-3-pyrrolidinone (CAS: 775-16-6) is generally considered safe when handled properly. However, it should be treated with caution as it may cause mild irritation to the skin and eyes. Safety data sheets recommend using personal protective equipment such as gloves and goggles. It is not classified as highly toxic, but appropriate safety measures are necessary during storage and use.

How should 1-Benzyl-3-pyrrolidinone (CAS: 775-16-6) be stored?

1-Benzyl-3-pyrrolidinone (CAS: 775-16-6) should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life. Avoid exposure to strong oxidizing agents or incompatible substances.