2-(4-Isobutylphenyl)acetonitrile

Name: 2-(4-Isobutylphenyl)acetonitrile
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CAS No. 40784-95-0
Cat. No. CS-0539790
Molecule weight173.25
Purity≥98%
MDL No.None

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2-(4-Isobutylphenyl)acetonitrile|CS-0539790

Structure of 40784-95-0

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General Information

CAS No. 40784-95-0
Cat. No. CS-0539790
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅N
Molecular Weight 173.25
Synonym(s) (4-Isobutylphenyl)acetonitrile
SMILES CC(C)CC1=CC=C(C=C1)CC#N

Synthesis

Route1
- 60736-79-0
- ~%
- 40784-95-0
References
- Hommel AG Patent: US4381313 A1, 1983 ;
Route2
- 60736-79-0
- 143-33-9
- ~93%
- 40784-95-0
References
- Kuchar; Brunova; Rejholec; et al. Collection of Czechoslovak Chemical Communications, 1984 , vol. 49, # 1 p. 122 - 136

Safety Information

Download SDS

GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 23.79
LogP 2.95118
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Isobutylphenyl)acetonitrile

CAS No. 40784-95-0

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Synthesis

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