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Merck
CN

461776

Sigma-Aldrich

1-Chloro-4-phenylbutane

97%

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About This Item

Linear Formula:
C6H5(CH2)4Cl
CAS Number:
Molecular Weight:
168.66
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

97%

refractive index

n20/D 1.518 (lit.)

bp

98-102 °C/6 mmHg (lit.)

density

1.026 g/mL at 25 °C (lit.)

SMILES string

ClCCCCc1ccccc1

InChI

1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChI key

FLLZCZIHURYEQP-UHFFFAOYSA-N

General description

1-Chloro-4-phenylbutane can be synthesized by reacting 4-phenylbutan-1-ol with POCl3 and pyridine.

Application

1-Chloro-4-phenylbutane may be used for the synthesis of 4-(2,4-dinitrophenyl)butan-1-amine. It was used in the synthesis of 1-phenylbutyl-4-phenylpiperidine-4-carbonitrile oxalate.
It may be used in the preparation of tetralin via cyclialkylation with aluminum chloride and ferric chloride.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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)

219.2 °F - closed cup

Flash Point(C)

104 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Identification of dinitrotoluene selective peptides by phage display cloning.
Jang H-J, et al.
Bull. Korean Chem. Soc., 31(12), 3703-3706 (2010)
Susan L Mercer et al.
European journal of medicinal chemistry, 43(6), 1304-1308 (2007-11-09)
A series of N-substituted-4-cyano-4-phenylpiperidine analogs were synthesized and evaluated for binding affinity at opioid receptors and showed no affinity. The series similarity to previously reported sigma ligands prompted analysis at sigma receptors to determine the SAR for affinity at sigma
New Friedel-Crafts Chemistry. XVI. 1 A Reconsideration of Cyclialkylation and Competing Reactions of Certain Phenylalkyl, Benzoylalkyl and Acetylphenylalkyl Chlorides.
Khalaf AA and Roberts RM.
The Journal of Organic Chemistry, 31(1), 89-95 (1966)

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