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Merck
CN

527777

Sigma-Aldrich

4-Butylbenzonitrile

98%

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About This Item

Linear Formula:
CH3(CH2)3C6H4CN
CAS Number:
20651-73-4
Molecular Weight:
159.23
MDL number:
MFCD00052345
UNSPSC Code:
12352100
PubChem Substance ID:
24874645
NACRES:
NA.22

Key Documents

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Assay

98%

refractive index

n20/D 1.515 (lit.)

bp

132-133 °C/12 mmHg (lit.)

density

0.924 g/mL at 25 °C (lit.)

SMILES string

CCCCc1ccc(cc1)C#N

InChI

1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3

InChI key

KGZNJCXNPLUEQS-UHFFFAOYSA-N

General description

4-Butylbenzonitrile can be prepared from 4-(but-3-enyl)benzonitrile.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

143.6 °F - closed cup

Flash Point(C)

62 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
10520EC
16701HI

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Baird MS, et al.
Science of Synthesis: Houben-Weyl Methods of Molecular Transformations, 322-322 (2014)

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