1-(4-(1H-Imidazol-1-yl)phenyl)ethanone

HCID 82316CAS 10041-06-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(-n2ccnc2)cc1
InChIKey
GAIQQJIMVVUTQN-UHFFFAOYSA-N
Molecular formula
C11H10N2O
Average molar mass
186.21 g/mol
Monoisotopic mass
186.07931294

Names & identifiers

Preferred name
1-(4-(1H-Imidazol-1-yl)phenyl)ethanone
IUPAC
1-(4-imidazol-1-ylphenyl)ethanone
English name
4'-(IMIDAZOL-1-YL)ACETOPHENONE
Molecular formula
C11H10N2O
Molecular weight
186.21

Names & synonyms

10041-06-21-(4-(1H-Imidazol-1-yl)phenyl)ethanoneRo 22-3581Ethanone, 1-[4-(1H-imidazol-1-yl)phenyl]-KQU6ES7DSS1-[4-(1H-Imidazol-1-yl)phenyl]ethanoneEthanone, 1-(4-(1H-imidazol-1-yl)phenyl)-DTXSID50143259RefChem:883669DTXCID7065750233-123-54'-(Imidazol-1-yl)acetophenone
Show more names
ro22-3581AKOS BBS-00006485BUTTPARK 98\50-50LABOTEST-BB LT002331573-oxolanecarboxylic acid4'-(IMIDAZOL-1-YL)ACETOPHENO
4'-(1-imidazolyl)acetophenone4-(Imidazol-1-yl)acetophenone1-(4-imidazol-1-ylphenyl)ethanone1-(4-Acetylphenyl)imidazole1-[4-(1H-Imidazol-1-yl)phenyl]ethan-1-oneMFCD000052821-(4-Imidazol-1-yl-phenyl)-ethanoneTCMDC-125536

Database identifiers

CAS
10041-06-2
PubChem CID
82316
DTXSID
DTXSID50143259
ChEMBL
CHEMBL528463
UNII
KQU6ES7DSS
EC Number
233-123-5
Nikkaji
J241.241A

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Solubility>27.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
108 · 108-110 °C(lit.)
Boiling point
320.7 °C · 320.7°C (rough estimate)
Density
1.1458 · 1.1458 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationEthanone, 1-4-(1H-imidazol-1-yl)phenyl-: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29332990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4′-(Imidazol-1-yl)acetophenone was used in the synthesis of (R)-(+)-4′-(imidozol-1-yl)-phenyl ethanol using spiroborate catalyst.

General Description4′-(Imidazol-1-yl)acetophenone is a selective thromboxane synthesis inhibitor.

Upstream & downstream products

Suppliers50 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Syntechem Co.,Ltd[email protected]

Related reactions

8 records
New reaction record

Linked notes

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