Peroxide,bis(4-methylbenzoyl) supplier

Name
Peroxide, bis(4-methylbenzoyl)
EINECS 407-950-9
CAS No. 895-85-2
Article Data28
CAS DataBase
Density 1.197 g/cm³
Solubility 43μg/L at 20℃
Melting Point 143-144 °C (decomp)
Formula C₁₆H₁₄O₄
Boiling Point 401.9 °C at 760 mmHg
Molecular Weight 270.285
Flash Point 177.9 °C
Transport Information
Appearance white paste
Safety 7-14-36/37/39-47-60-61
Risk Codes 2-7-50/53
Molecular Structure
Hazard Symbols E,N
Synonyms p-Toluoylperoxide (6CI,7CI,8CI);4-Methylbenzoyl peroxide;Bis(4-methylbenzoyl)peroxide;Bis(p-methylbenzoyl) peroxide;Di(p-methylbenzoyl) peroxide;Di-p-toluoyl peroxide;p,p'-Dimethylbenzoyl peroxide;p,p'-Dimethyldibenzoylperoxide;p-Methylbenzoyl peroxide;
PSA 52.60000
LogP 3.23220

Synthetic route

: 99-94-5
p-Toluic acid

: 895-85-2
di-(4-methylbenzoyl)peroxide

Conditions

Conditions	Yield
With Eosin Y; triphenylphosphine In acetonitrile at 20℃; Irradiation;	91%
(i) N,N'-carbonyl-diimidazole, (ii) H2O2; Multistep reaction;

: 874-60-2
4-methyl-benzoyl chloride

: 895-85-2
di-(4-methylbenzoyl)peroxide

Conditions

Conditions	Yield
With dihydrogen peroxide In diethyl ether; water for 0.166667h;	86%
With sodium peroxide
With dihydrogen peroxide; sodium hydroxide In water

: 104-87-0
4-methyl-benzaldehyde

A: 895-85-2
di-(4-methylbenzoyl)peroxide

B: 937-21-3
4-methylperbenzoic acid

C: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
With oxygen; ozone; lithium chloride In tetrachloromethane at 50℃;	A 58.3% B n/a C n/a

...Expand

: 106-43-4
para-chlorotoluene

: 895-85-2
di-(4-methylbenzoyl)peroxide

Conditions

Conditions	Yield
With sodium peroxide; toluene
With sodium peroxide; cyclohexane
With toluene
With dihydrogen peroxide; acetone Behandeln des Reaktionsgemisches mit Natronlauge;

: 10347-11-2
4-(methylbenzoyl)imidazoline

: 895-85-2
di-(4-methylbenzoyl)peroxide

Conditions

Conditions	Yield
With dihydrogen peroxide

: 874-60-2
4-methyl-benzoyl chloride

: 933-88-0
ortho-toluoyl chloride

A: 895-85-2
di-(4-methylbenzoyl)peroxide

B: 208726-49-2
2-methylbenzoyl 4-methylbenzoyl peroxide

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium hydroxide In water at 10 - 20℃; for 1h; Industry scale;

...Expand

: 609-14-3
2-acetylpropanoic acid ethyl ester

: 895-85-2
di-(4-methylbenzoyl)peroxide

: C15H18O5

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol; CHF3O3S*C10H24N2 In chloroform at 20℃; Schlenk technique; Inert atmosphere; enantioselective reaction;	90%

: 7559-36-6
4-methyl-β-nitrostyrene

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 18869-29-9
(E)-4,4'-dimethylstilbene

Conditions

Conditions	Yield
In acetonitrile at 100℃; for 3h; Sealed tube; stereoselective reaction;	90%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 107-06-2
1,2-dichloro-ethane

: 125288-33-7
2-chloroethyl 4-methyl benzoate

Conditions

Conditions	Yield
With 1,10-Phenanthroline; oxygen; copper diacetate; sodium t-butanolate In dimethyl sulfoxide at 80℃; for 24h;	85%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 100-46-9
benzylamine

: 5436-83-9
N-benzyl-4-methylbenzamide

Conditions

Conditions	Yield
With bathophenanthroline; cobalt(II) diacetate tetrahydrate In 1,2-dichloro-ethane at 60℃; for 8h; Sealed tube;	85%

: 6479-18-1
1-methyl-2(1H)-quinoxalinone

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 1-methyl-3-(4-tolyl)quinoxalin-2(1H)-one

Conditions

Conditions	Yield
In ethyl acetate at 80℃; for 24h; Sealed tube;	85%
In ethyl acetate at 20℃; for 3h; Irradiation; Green chemistry; regioselective reaction;	75%
In acetone at 80℃; for 12h; Autoclave; Green chemistry;	68%

: 1008-89-5
2-phenylpyridine

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 2-(4’-methyl-[1,1’-biphenyl]-2-yl)pyridine

Conditions

Conditions	Yield
With palladium diacetate In acetic acid; acetonitrile for 2h; Heating; Inert atmosphere;	81%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 71-43-2
benzene

: 644-08-6
4-Methylbiphenyl

Conditions

Conditions	Yield
at 100℃; for 12h; Sealed tube;	81%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 106129-86-6, 1776-08-5
1-(2-hydroxyphenyl)-3-dimethylaminoprop-2-enone

: 4-oxo-4H-chromen-3-yl 4-methylbenzoate

Conditions

Conditions	Yield
In ethanol at 20℃; for 6h;	80%

: 578-66-5
8-amino quinoline

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 7-aminoquinolin-8-yl 4-methylbenzoate

Conditions

Conditions	Yield
With air In water at 20℃; for 16h; Green chemistry;	80%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 3128-77-6
2-isocyanobiphenyl

: 47135-83-1
6-(4′-methylphenyl)phenanthridine

Conditions

Conditions	Yield
at 100℃; for 10h; Inert atmosphere;	77%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 23897-15-6
tris(2,4,6-trimethylphenyl)phosphine

: 1109-15-5
tris(pentafluorophenyl)borate

: C26H7BF15O2(1-)*C27H33P(1+)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Glovebox;	77%

...Expand

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 33757-47-0
8-(n-butyryl)aminoquinoline

: 8-butyramidoquinolin-5-yl 4-methylbenzoate

Conditions

Conditions	Yield
Stage #1: N-(quinolin-8-yl)butyramide With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In water at 80℃; for 0.5h; Stage #2: di-(4-methylbenzoyl)peroxide In water at 80℃; for 24h;	73%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 32597-29-8
N-(3-methylphenyl)-2,2-dimethylpropanamide

: 1029124-77-3
N-(4,4′-dimethyl-[1,1′-biphenyl]-2-yl)pivalamide

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; palladium diacetate In acetonitrile at 80℃; for 32h; Molecular sieve;	72%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 17082-12-1
trans-azobenzene

A: 1619236-92-8
(E)-1-(4’-methyl-[1,1’-biphenyl]-2-yl)-2-phenyldiazene

B: 1619236-93-9
(Z)-1-(4'-methyl-[1,1'-biphenyl]-2-yl)-2-phenyl diazene

Conditions

Conditions	Yield
With palladium diacetate In chlorobenzene; acetonitrile at 130℃; for 24h; Sealed tube; regioselective reaction;	A 70% B n/a

...Expand

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 33757-49-2
4-methyl-N-(quinolin-8-yl)benzamide

: 8-(4-methylbenzamido)quinolin-5-yl 4-methylbenzoate

Conditions

Conditions	Yield
With iron(III) chloride hexahydrate In toluene at 90℃; for 24h;	70%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: C22H24O4

Conditions

Conditions	Yield
With copper(I) bromide In 1,2-dichloro-benzene at 80℃; for 18h; Inert atmosphere; Schlenk technique;	67%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 89818-46-2
phenyl 2-pyridyl sulphoxide

: 1308400-03-4
2-[(4'-methylbiphenyl-2-yl)sulfinyl]pyridine

Conditions

Conditions	Yield
With palladium diacetate; acetic acid In acetonitrile at 80℃; for 16h; Inert atmosphere; regioselective reaction;	66%

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 110-56-5
1,4-dichlorobutane

: 4-methylbenzoic acid 4-chlorobutyl ester

Conditions

Conditions	Yield
With 1,10-Phenanthroline; oxygen; copper diacetate; sodium t-butanolate In dimethyl sulfoxide at 80℃; for 24h;	65%

: 78-86-4, 53178-20-4
s-butyl chloride

: 895-85-2
di-(4-methylbenzoyl)peroxide

: 100556-51-2
sec-butyl 4-methylbenzoate

Conditions

Conditions	Yield
With 1,10-Phenanthroline; oxygen; copper diacetate; sodium t-butanolate In dimethyl sulfoxide at 80℃; for 24h;	65%

Peroxide,bis(4-methylbenzoyl) Specification

The Peroxide,bis(4-methylbenzoyl), with the CAS registry number 895-85-2, is also known as Di(p-methylbenzoyl) peroxide. Its EINECS number is 407-950-9. This chemical's molecular formula is C₁₆H₁₄O₄ and molecular weight is 270.28. What's more, its systematic name is bis(4-methylphenyl)peroxyanhydride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Peroxide,bis(4-methylbenzoyl) are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1284.95; (6)ACD/BCF (pH 7.4): 1284.95; (7)ACD/KOC (pH 5.5): 5847.08; (8)ACD/KOC (pH 7.4): 5847.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 74.38 cm³; (15)Molar Volume: 225.6 cm³; (16)Polarizability: 29.48×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 177.9 °C; (20)Enthalpy of Vaporization: 65.3 kJ/mol; (21)Boiling Point: 401.9 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It has the risk of explosion by shock, friction, fire or other sources of ignition. It may cause fire. It is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. You must keep the container tightly closed and keep it away from incompatible materials to be indicated by the manufacturer. It should be kept at temperature not exceeding which specified by the manufacturer. When using it, you need wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OOC(=O)c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1S/C16H14O4/c1-11-3-7-13(8-4-11)15(17)19-20-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
(3)InChIKey: AGKBXKFWMQLFGZ-UHFFFAOYSA-N

Product Name

Peroxide, bis(4-methylbenzoyl)

Synthetic route

Peroxide,bis(4-methylbenzoyl) Specification

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