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1-Bromo-4-tert-butylbenzene
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Name

1-Bromo-4-tert-butylbenzene

 EINECS 223-599-2
CAS No. 3972-65-4 Density 1.236 g/cm3
PSA 0.00000 LogP 3.74660
Solubility Insoluble in water. Melting Point 13-16 °C(lit.)
Formula C10H13Br Boiling Point 232 °C at 760 mmHg
Molecular Weight 213.117 Flash Point 97.2 °C
Transport Information N/A Appearance clear colorless to slightly yellow liquid
Safety 23-24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3972-65-4 (1-Bromo-4-tert-butylbenzene) Hazard Symbols IrritantXi
Synonyms

Benzene,1-bromo-4-tert-butyl- (6CI,7CI,8CI);1-Bromo-4-(1,1-dimethylethyl)benzene;1-Bromo-4-t-butylbenzene;1-tert-Butyl-4-bromobenzene;4-Bromo-tert-butylbenzene;4-tert-Butyl-1-bromobenzene;4-tert-Butylbromobenzene;4-tert-Butylphenylbromide;B 1727;NSC 43038;p-Bromo-tert-butylbenzene;p-tert-Butylbromobenzene;

Article Data 61

1-Bromo-4-tert-butylbenzene Synthetic route

253185-03-4, 253185-04-5

tert-butylbenzene

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
With bromine; iodine at 0℃;100%
With carbon dioxide; bromine at 40℃; under 187519 Torr; for 2h; Supercritical conditions; Green chemistry;100%
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In acetic acid at 70℃; for 2h;95%
99-90-1

para-bromoacetophenone

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
97%
214360-66-4

2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
With copper(ll) bromide In methanol Heating;96%
108-86-1

bromobenzene

15512-06-8

3,6-di-tert-butylbenzene-1,2-diol

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
With sulfuric acid90%
402-43-7

p-trifluoromethylphenyl bromide

75-24-1

trimethylaluminum

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
In hexane; 1,2-dichloro-ethane at 25 - 50℃; Inert atmosphere;89%
108-86-1

bromobenzene

3282-30-2

pivaloyl chloride

A

3972-65-4

1-bromo-4-tert-butylbenzene

B

30314-45-5

1-(4-bromophenyl)-2,2-dimethylpropan-1-one

Conditions
ConditionsYield
With iodine for 0.166667h; Ambient temperature; Irradiation;A 8%
B 87%
With iron(III) sulfate In hexane at 20℃; for 0.75h; Friedel-Crafts acylation; Sonication;A 8%
B 72%
With aluminium trichloride In hexane for 0.166667h; Ambient temperature; Irradiation;A 25%
B 50%
154318-75-9

4-tert-butylphenyl triflate

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
With [Cp*Ru(CH3CN)3]OTf; lithium bromide at 120℃; for 48h; Inert atmosphere;87%
Multi-step reaction with 2 steps
1: 86 percent / Et3N / PdCl2(dppf) / dioxane / Heating
2: 96 percent / aq. CuBr2 / methanol / Heating
View Scheme

potassium (4-tert-butyl)phenyltrifluoroborate

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;86%
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;86%
176780-03-3, 164927-39-3

(P(o-tol)3)2Pd2(C6H4tBu-4)2Br2

13716-12-6

tri-tert-butyl phosphine

A

53199-31-8

bis(tri-t-butylphosphine)palladium(0)

B

3972-65-4

1-bromo-4-tert-butylbenzene

Conditions
ConditionsYield
In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; K(eq) = 3.3(6)E-4;A n/a
B 75%
108-86-1

bromobenzene

3282-30-2

pivaloyl chloride

A

3972-65-4

1-bromo-4-tert-butylbenzene

B

61593-14-4

1-(2-bromophenyl)-2,2-dimethyl-propan-1-one

C

30314-45-5

1-(4-bromophenyl)-2,2-dimethylpropan-1-one

Conditions
ConditionsYield
With iodine for 6h; Ambient temperature;A 64%
B 6%
C 17%
With aluminium trichloride In hexane for 5h; Ambient temperature;A 42%
B 5%
C 12%

1-Bromo-4-tert-butylbenzene Chemical Properties

IUPAC Name:1-bromo-4-tert-butylbenzene
Molecular Formula:C10H13Br
Molecular Weight:213.114220 g/mol
Appearance:Colorless liquid
Melting Point:13-16 °C(lit.)
Boiling Point:80-81 °C2 mm Hg(lit.)
Flash Point:97 °C
Solubility:benzene, xylene, chlorobenzene and other solvents.
Insolubility:water
density:1.229 g/mL at 25 °C(lit.)
refractive index  n20/D 1.533(lit.) 
BRN:1859117
CAS DataBase Reference:3972-65-4(CAS DataBase Reference)
NIST Chemistry Reference:3972-65-4(NIST)
Synonyms of 1-Bromo-4-tert-butylbenzene(3972-65-4):
P-BROMO-T-BUTYLBENZENE;4-BROMO-TERT-BUTYLBENZENE;2-(4'-BROMOPHENYL)-2-METHYLPROPANE;1-BROMO-P-T-BUTYLBENZENE;1-BROMO-4-T-BUTYLBENZENE;1-BROMO-4-TERT-BUTYLBENZENE;P-BROMO-TERT-BUTYLBENZENE;4-TERT-BUTYLBROMOBENZENE
Categories of 1-Bromo-4-tert-butylbenzene(3972-65-4):
Halides;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Aryl;C9 to C12;Halogenated Hydrocarbons;Bromine Compounds

1-Bromo-4-tert-butylbenzene Uses

1-Bromo-4-tert-butylbenzene(3972-65-4) is used as a intermediate for the synthesis of Miticide Fenazaquin.

1-Bromo-4-tert-butylbenzene Safety Profile

Safety Information of 1-Bromo-4-tert-butylbenzene(3972-65-4):
Hazard Codes : Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25-37/39-26
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
24/25:Avoid contact with skin and eyes 
37/39:Wear suitable gloves and eye/face protection 
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice  
WGK Germany:3
Hazard Note:Irritant
HS Code:29036990

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