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

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone structure

CAS No:
10041-06-2
Formula:
C11H10N2O
Chemical Name:
1-[4-(1H-Imidazol-1-yl)phenyl]ethanone
Synonyms:
Ethanone,1-[4-(1H-imidazol-1-yl)phenyl]-;Acetophenone,4′-imidazol-1-yl-;1-[4-(1H-Imidazol-1-yl)phenyl]ethanone;Ro 22-3581;4′-Imidazolylacetophenone;N-(4-Acetylphenyl)imidazole;p-Imidazol-1-ylacetophenone;1-[4-(1-Imidazolyl)phenyl]ethan-1-one;4-(1-Imidazolyl)acetophenone;4-(1H-Imidazol-1-yl)acetophenone;1-(4-Imidazol-1-yl-phenyl)ethanone;1-(4-Acetylphenyl)-1H-imidazole;1-(4-(1H-Imidazol-1-yl)phenyl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-[4-(1H-Imidazol-1-yl)phenyl]ethanone Basic Attributes

Molecular Weight：

186.21000

Exact Mass：

186.21

EC Number：

233-123-5

DSSTox ID：

DTXSID50143259

HScode：

2933290090

Characteristics

PSA：

34.89000

XLogP3：

2.07490

Appearance：

white to yellow powder

Density：

1.13g/cm3

Melting Point：

112-114 °C

Boiling Point：

369ºC

Flash Point：

172.1ºC

Refractive Index：

1.593

Water Solubility：

>27.9 [ug/mL]

Vapor Pressure：

2.15E-05mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R22; R36/37/38

safety instructions：

S22-S26-S36/37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4'-(1-H-imidazole-1-yl)acetophenone

Computed Properties

Molecular Weight:186.21
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:186.079312947
Monoisotopic Mass:186.079312947
Topological Polar Surface Area:34.9
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(1H-Imidazol-1-yl)phenyl]ethanone

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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