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Peroxide, bis(2-methylbenzoyl)

HCID 76431
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3034-79-5
Standard SMILES
Cc1ccccc1C(=O)OOC(=O)c1ccccc1C
InChIKey
ZICNIEOYWVIEQJ-UHFFFAOYSA-N
Molecular formula
C16H14O4
Average molar mass
270.28 g/mol
Monoisotopic mass
270.08920892

Names & identifiers

Preferred name
Peroxide, bis(2-methylbenzoyl)
IUPAC
(2-methylbenzoyl) 2-methylbenzenecarboperoxoate
English name
bis(o-toluoyl) peroxide
Molecular formula
C16H14O4
Molecular weight
270.28

Names & synonyms

Peroxide, bis(2-methylbenzoyl)3034-79-5Bis(o-methylbenzoyl) peroxideBis(o-methylbenzoyl)peroxideEINECS 221-231-5DTXSID4062806RefChem:860357DTXCID5038177Bis(o-toluoyl) peroxide(2-methylbenzoyl) 2-methylbenzenecarboperoxoatebis(2-methylbenzoyl) peroxideo-Toloylperoxyd
Show more names
Di-(2-methylbenzoyl)-peroxidBis-(o-methylbenzoyl) peroxideBis-(2-methylbenzoyl)-peroxidedi-(2-methylbenzoyl)peroxide, = 13% water
UDF7VT6GGJSCHEMBL127127SCHEMBL37041547ZICNIEOYWVIEQJ-UHFFFAOYSA-NNS00028907

Database identifiers

CAS
3034-79-5
PubChem CID
76431
DTXSID
DTXSID4062806
UNII
UDF7VT6GGJ
EC Number
221-231-5
Nikkaji
J59.715E

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
318

Physicochemical properties

Melting point
74 °C · 74 °C(Solv: methanol (67-56-1))
Boiling point
373.4 °C · 373.4°C (rough estimate)
Density
1.2117 · 1.2117 (rough estimate)
refractive index
1.5447 · 1.5447 (estimate)
EPA Substance Registry System
Peroxide, bis(2-methylbenzoyl) (3034-79-5)
RIDADR
3112 · 3112
TSCA
TSCA listed
HazardClass
5.2 · 5.2
PackingGroup
II

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
ridadr
3112
hazard_class
5.2
packing_group
II

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPeroxide, bis(2-methylbenzoyl): ACTIVE

Upstream & downstream products

Upstream raw materials

o-Toluoyl chloride

Downstream products

3-Bromophthalic anhydride

Related reactions

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Compound notes

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