1,2-Diacetylbenzene

HCID 35459CAS 704-00-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccccc1C(C)=O
InChIKey
LVQFKRXRTXCQCZ-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Monoisotopic mass
162.06807956

Names & identifiers

Preferred name
1,2-Diacetylbenzene
IUPAC
1-(2-acetylphenyl)ethanone
English name
1,2-Diacetylbenzene
Molecular formula
C10H10O2
Molecular weight
162.19

Names & synonyms

1,2-Diacetylbenzene704-00-7ortho-diacetylbenzeneDTXSID20220667RefChem:592389DTXCID50143158211-877-61-(2-acetylphenyl)ethanoneo-Diacetylbenzene1-(2-acetylphenyl)ethan-1-oneEthanone, 1,1'-(1,2-phenylene)bis-1,1'-(1,2-Phenylene)diethanone
Show more names
2-ACETYLACETOPHENONEo-diacetyl-benzenTIMTEC-BB SBB008490benzene-1,2-bis(acetyl)1,2-Diacetylbenzene 99%1,2-Diacetylbenzene,99%1,1’-(1,2-phenylene)bisethanone
MFCD000087331,1''-(1,2-Phenylene)bis[ethanone]1,2-Diacetyl benzenediacetylbenzeneo-DiacetylbenzolBenzene, o-diacetyl-1-(2-acetylphenyl)ethanon1,2-Diacetylbenzene, 99%

Database identifiers

CAS
704-00-7
PubChem CID
35459
DTXSID
DTXSID20220667
EC Number
211-877-6
Nikkaji
J79.918A

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
39 · 39-41 °C (lit.)
Boiling point
110 °C/0.1 · 110 °C/0.1 mmHg (lit.)
Density
1.0613 · 1.0613 (rough estimate)
refractive index
1.5782 · 1.5782 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

Hazard information

Regulatory InformationEthanone, 1,1'-(1,2-phenylene)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

F
8
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
KM5782637
hs_code
29143900
safety_code
22-24/25

Chemistry & industry

Applications

Uses1,2-Diacetylbenzene, an aromatic hydrocarbon, is a protein-reactive γ-diketone metabolite of the neurotoxic solvent 1,2-diethylbenzene.

General Description1,2-Diacetylbenzene, an aromatic hydrocarbon, is a protein-reactive γ-diketone metabolite of the neurotoxic solvent 1,2-diethylbenzene.

Suppliers29 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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