(4-Bromobutyl)benzene

Basic Information

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CAS Number

13633-25-5

Molecular Formula

C10H13Br

Molecular Weight

213.12 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

54-56°C

Boiling Point

54-56℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

131-133°C/12mm

Refractive Index

1.5380-1.5420

SMILES

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C1=CC=C(C=C1)CCCCBr

InChI

InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

XPBQQAHIVODAIC-UHFFFAOYSA-N

LogP

3.404200000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

84.9

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC89816
P1388
FT-0607515
4-phenyl-1-bromo butane
1-Bromo-4-phenylbutane
1-phenyl-4-bromobutane
BCP10383
AKOS005259918
MFCD00154988
AMY28672
NCIOpen2_006323
AS-12984
(4-bromobutyl) benzene
AB87751
DTXSID10293481
4-bromobutylbenzene
(4-Bromobutyl)benzene
4-Phenylbutyl bromide
13633-25-5
A25194
4-phenyl-butylbromide
SCHEMBL80789
4-phenylbutylbromide
EN300-136048
4-Phenyl-1-butyl bromide
4-Phenyl-1-bromobutane
NSC-89816
(4-Bromobut-1-yl)benzene
SY036816
4-phenyl 1-butyl bromide
Benzene, (4-bromobutyl)-

MDL Number

MFCD00154988

Customs Code

2903999090

FAQ

What are the physical and chemical properties of (4-Bromobutyl)benzene (CAS: 13633-25-5)?

(4-Bromobutyl)benzene is a colorless liquid with a molecular weight of 210.02 g/mol. It has a low solubility in water but is soluble in organic solvents. It is relatively stable under normal conditions but can react with strong bases and reducing agents. Its physical properties include a boiling point of 175-176°C and a melting point of -40°C.

How is (4-Bromobutyl)benzene (CAS: 13633-25-5) typically synthesized?

(4-Bromobutyl)benzene is typically synthesized by bromination of 1-butanamine followed by coupling with benzene. The reaction involves using bromine in the presence of a base like sodium hydride to introduce the bromo group, followed by a Friedel-Crafts alkylation to attach the butyl group.

What industries use (4-Bromobutyl)benzene (CAS: 13633-25-5)?

(4-Bromobutyl)benzene is primarily used in the pharmaceutical industry for the synthesis of certain drugs, and in the chemical industry for the production of intermediates. It is also used in the preparation of materials for sensors and semiconductors.

What precautions should be taken when handling (4-Bromobutyl)benzene (CAS: 13633-25-5)?

When handling (4-Bromobutyl)benzene, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from sources of heat and ignition. In case of a spill, the area should be ventilated and the spill wiped up carefully. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.