3',4'-Dichloropropiophenone

HCID 81060
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Basic information

CAS
6097-32-1
Standard SMILES
CC(=O)Cc1ccc(Cl)c(Cl)c1
InChIKey
AJUAASWQUWIMHM-UHFFFAOYSA-N
Molecular formula
C9H8Cl2O
Average molar mass
203.06 g/mol
Monoisotopic mass
201.9952203

Names & identifiers

Preferred name
3',4'-Dichloropropiophenone
IUPAC
1-(3,4-dichlorophenyl)propan-2-one
English name
3,4-Dichlorophenylacetone
Molecular formula
C9H8Cl2O
Molecular weight
203.07

Names & synonyms

EINECS 229-511-9RefChem:484515229-511-93',4'-Dichloropropiophenone3,4-Dichlorophenylacetone6097-32-11-(3,4-dichlorophenyl)propan-2-one1-(3,4-dichlorophenyl)acetoneMFCD002104061-(3,4-Dichlorophenyl)-2-propanone3',4'-Dichlorophenylacetone(3,4-dichlorophenyl)acetone
Show more names
TIMTEC-BB SBB0058413,4-Dichlorophenylacetone,99%3,4-DICHLOROPHENYLACETONE 99%4-ACETONYL-1,2-DICHLOROBENZENE(3,4-DICHLOROPHENYL)-2-PROPANONE3,4-Dichlorophenylacetone, 99% 5GR2-Propanone, 1-(3,4-dichlorophenyl)-
ghl.PD_Mitscher_leg0.338orb3031055SCHEMBL11367821-(3,4-dichlorophenyl)propanoneDTXSID40976452Fr12978SBB0058413-(3,4-dichlorophenyl)propan-2-one

Database identifiers

CAS
6097-32-1、6582-42-9
PubChem CID
81060
DTXSID
DTXSID40976452
Nikkaji
J2.643.444K

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
135 °C · 135 °C / 105mmHg
Density
1.2568 · 1.2568 (rough estimate)
refractive index
1.551 · 1.551-1.553
storage temp.
Sealed in dry,Room Temperature
Appearance
Light yellow to yellow Solid
CAS DataBase Reference
6097 · 6097-32-1

Safety & regulation

Safety data

hs_code
29147000
safety_code
24/25

Chemistry & industry

Suppliers41 total

上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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