CAS No.3972-65-4,1-Bromo-4-tert-butylbenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3972-65-4
Name:	1-Bromo-4-tert-butylbenzene
Article Data:	61

Formula:	C₁₀H₁₃Br
Molecular Weight:	213.117
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;
EINECS:	223-599-2
Density:	1.236 g/cm³
Melting Point:	13-16 °C(lit.)
Boiling Point:	232 °C at 760 mmHg
Flash Point:	97.2 °C
Solubility:	Insoluble in water.
Appearance:	clear colorless to slightly yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	23-24/25-37/39-26
PSA:	0.00000
LogP:	3.74660

Synthetic route

: 253185-03-4, 253185-04-5
tert-butylbenzene

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
	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

Conditions	Yield
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

Conditions	Yield
With sulfuric acid	90%

: 402-43-7
p-trifluoromethylphenyl bromide

: 75-24-1
trimethylaluminum

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 154318-75-9
4-tert-butylphenyl triflate

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 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

Conditions	Yield
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%

...Expand

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Chemistry

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

Uses

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

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