ChemicalBook > CAS DataBase List > 1-Bromo-4-tert-butylbenzene

1-Bromo-4-tert-butylbenzene

Product Name
1-Bromo-4-tert-butylbenzene
CAS No.
3972-65-4
Chemical Name
1-Bromo-4-tert-butylbenzene
Synonyms
BUTYLBROMOBENZENE;4-t-Butylbromobenzene;P-BROMO-T-BUTYLBENZENE;4-Bromo-t-butylbenzene;1-BROMO-4-T-BUTYLBENZENE;1-BROMO-P-T-BUTYLBENZENE;4-TERT-BUTYLBROMOBENZENE;p-tert-Butylbromobenzene;4-BROMO-TERT-BUTYLBENZENE;P-BROMO-TERT-BUTYLBENZENE
CBNumber
CB1192911
Molecular Formula
C10H13Br
Formula Weight
213.11
MOL File
3972-65-4.mol
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1-Bromo-4-tert-butylbenzene Property

Melting point:
13-16 °C(lit.)
Boiling point:
80-81 °C2 mm Hg(lit.)
Density 
1.229 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.533(lit.)
Flash point:
97 °C
storage temp. 
Sealed in dry,Room Temperature
form 
Liquid
color 
Clear colorless to slightly yellow
Specific Gravity
1.229
Water Solubility 
Insoluble in water.
BRN 
1859117
InChI
InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey
XHCAGOVGSDHHNP-UHFFFAOYSA-N
SMILES
C1(Br)=CC=C(C(C)(C)C)C=C1
CAS DataBase Reference
3972-65-4(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1-bromo-4-(1,1-dimethylethyl)-(3972-65-4)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
23-24/25-37/39-26
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29036990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
253928
Product name
1-Bromo-4-tert-butylbenzene
Purity
97%
Packaging
25g
Price
$44.1
Updated
2025/07/31
Sigma-Aldrich
Product number
253928
Product name
1-Bromo-4-tert-butylbenzene
Purity
97%
Packaging
100g
Price
$133
Updated
2025/07/31
TCI Chemical
Product number
B1727
Product name
1-Bromo-4-tert-butylbenzene
Packaging
25G
Price
$37
Updated
2025/07/31
TCI Chemical
Product number
B1727
Product name
1-Bromo-4-tert-butylbenzene
Packaging
100G
Price
$106
Updated
2025/07/31
TRC
Product number
B699585
Product name
1-Bromo-4-tert-butylbenzene
Packaging
5g
Price
$60
Updated
2021/12/16
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1-Bromo-4-tert-butylbenzene Chemical Properties,Usage,Production

Chemical Properties

clear colorless to slightly yellow liquid

Uses

1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

General Description

1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

Synthesis

253185-03-4

3972-65-4

Iron powder (0.03 mmol) was added to a solution of tert-butylbenzene (1.0 mmol) in dichloromethane (0.15 mL) at 0°C and under argon protection. Bromine (1.05 mmol) was added slowly and the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the reaction mixture was washed with 1 M NaOH solution and subsequently extracted with dichloromethane (3×). The organic phases were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by distillation under reduced pressure (about 100 °C, 120 Pa) to give a colorless oily liquid in 80% yield.

References

[1] Tetrahedron Letters, 2003, vol. 44, # 30, p. 5747 - 5750
[2] RSC Advances, 2014, vol. 4, # 92, p. 51016 - 51021
[3] Bulletin of the Chemical Society of Japan, 1989, vol. 62, # 2, p. 439 - 443
[4] Journal of Organic Chemistry, 1988, vol. 53, # 23, p. 5545 - 5547
[5] Russian Journal of General Chemistry, 2010, vol. 80, # 3, p. 451 - 454

1-Bromo-4-tert-butylbenzene Preparation Products And Raw materials

Raw materials

Liquid bromine tert-Butylbenzene

Preparation Products

4-tert-Butylphenylboronic acid 2-(4-tert-Butylphenyl)ethanol 3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE
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1-Bromo-4-tert-butylbenzene Suppliers

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View Lastest Price from 1-Bromo-4-tert-butylbenzene manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
1-Bromo-4-tert-butylbenzene 3972-65-4
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20 mt
Release date
2024-12-09
Hebei Yanxi Chemical Co., Ltd.
Product
1-Bromo-4-tert-butylbenzene 3972-65-4
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20tons
Release date
2023-10-12
Hebei Yanxi Chemical Co., Ltd.
Product
1-Bromo-4-tert-butylbenzene 3972-65-4
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20tons
Release date
2023-10-12

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  • ARYL HALIDE
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