Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

461776

Sigma-Aldrich

1-Chloro-4-phenylbutane

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5(CH2)4Cl
CAS Number:
4830-93-7
Molecular Weight:
168.66
EC Number:
225-408-8
MDL number:
MFCD00037117
UNSPSC Code:
12352100
PubChem Substance ID:
24869908
NACRES:
NA.22

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.[1]

Application

1-Chloro-4-phenylbutane may be used for the synthesis of 4-(2,4-dinitrophenyl)butan-1-amine.[1] It was used in the synthesis of 1-phenylbutyl-4-phenylpiperidine-4-carbonitrile oxalate.[2]
It may be used in the preparation of tetralin via cyclialkylation with aluminum chloride and ferric chloride.[3]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKBJ6457V
07509AE
12308JQ
13827MB
12518JI

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

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)

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service