Skip to Content
Merck
CN

Key Documents

View All Documentation

222739

2-Phenylbutyronitrile

95%

Synonym(s):

α-Ethylphenylacetonitrile

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
C6H5CH(CH2CH3)CN
CAS Number:
769-68-6
Molecular Weight:
145.20
NACRES:
NA.22
PubChem Substance ID:
24853353
UNSPSC Code:
12352100
EC Number:
212-213-8
MDL number:
MFCD00001876
Assay:
95%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Segment

assay

95%

refractive index

n20/D 1.5086 (lit.)

bp

114-115 °C/15 mmHg (lit.)

density

0.974 g/mL at 25 °C (lit.)

functional group

nitrile, phenyl

SMILES string

CCC(C#N)c1ccccc1

InChI

1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3

InChI key

IZPUPXNVRNBDSW-UHFFFAOYSA-N

Application

2-Phenylbutyronitrile was used in the preparation of Michael-adducts. It was also used in the preparation of S-amides by nitrile hydratase.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

221.0 °F - closed cup

Flash Point (°C)

105 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library