ChemicalBook--->CAS DataBase List--->6781-42-6

6781-42-6

6781-42-6 Structure

6781-42-6 Structure
IdentificationMore
[Name]

1,3-DIACETYLBENZENE
[CAS]

6781-42-6
[Synonyms]

1,3-DIACETYLBENZENE
M-ACETYL ACETOPHENONE
M-DIACETYLBENZENE
Ethanone, 1,1'-(1,3-phenylene)bis-
benzene-1,3-bis(acetyl)
1,3-Diacetylbenzene,97%
1,1'-m-Phenylenebisethanone
[EINECS(EC#)]

229-842-9
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD00008740
[Molecular Weight]

162.19
[MOL File]

6781-42-6.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR SLIGHTLY YELLOW LIQUID AFTER MELTING
[Melting point ]

28-32 °C (lit.)
[Boiling point ]

150-155 °C/15 mmHg (lit.)
[density ]

1.0613 (rough estimate)
[refractive index ]

1.5485-1.5505
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in ethanol, benzene, chloroform.
[form ]

Liquid After Melting
[color ]

Clear slightly yellow
[BRN ]

2042511
[InChI]

InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
[InChIKey]

VCHOFVSNWYPAEF-UHFFFAOYSA-N
[SMILES]

C1(C(=O)C)=CC=CC(C(=O)C)=C1
[CAS DataBase Reference]

6781-42-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29143990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

CLEAR SLIGHTLY YELLOW LIQUID AFTER MELTING
[Uses]

1,3-Diacetylbenzene was used in the preparation of polyhydroxylated analogs. It is an important raw material and intermediates in organic synthesis.
[General Description]

1,3-Diacetylbenzene is an δ-diketone. It induces neuropathological changes in the rodent central and peripheral nervous systems.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DIACETYLBENZENE(6781-42-6)1HNMR
1,3-DIACETYLBENZENE(6781-42-6)Raman
1,3-DIACETYLBENZENE(6781-42-6)FT-IR
1,3-DIACETYLBENZENE(6781-42-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Diacetylbenzene, 99%(6781-42-6)
[Alfa Aesar]

1,3-Diacetylbenzene, 97%(6781-42-6)
[Sigma Aldrich]

6781-42-6(sigmaaldrich)
[TCI AMERICA]

1,3-Diacetylbenzene,>98.0%(GC)(6781-42-6)
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