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4-Iodoacetophenone

4-Iodoacetophenone structure

CAS No:
13329-40-3
Formula:
C8H7IO
Chemical Name:
4-Iodoacetophenone
Synonyms:
Ethanone,1-(4-iodophenyl)-;Acetophenone,4′-iodo-;Acetophenone,p-iodo-;1-(4-Iodophenyl)ethanone;4-Iodoacetophenone;4′-Iodoacetophenone;p-Iodoacetophenone;p-Acetylphenyl iodide;1-(4-Iodophenyl)-1-ethanone;4-Acetylphenyl iodide;4-Iodophenyl methyl ketone;p-Iodophenyl methyl ketone;1-Acetyl-4-iodobenzene;NSC 97396;4-Acetyl-1-iodobenzene;1-Iodo-4-acetylbenzene;Methyl 4-iodophenyl ketone;4-Acetyliodobenzene;Methyl p-iodophenyl ketone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pale brown to brown crystalline powder

4-Iodoacetophenone Basic Attributes

Molecular Weight：

246.05

Exact Mass：

246.05

BRN：

1857412

EC Number：

236-372-8

NSC Number：

97396

DSSTox ID：

DTXSID70158047

HScode：

29147090

Characteristics

PSA：

17.1

Appearance：

Pale brown to brown Crystalline Powder

Density：

1.7411 (estimate)

Melting Point：

86 °C

Boiling Point：

142-144 °C @ Press: 12 Torr

Flash Point：

123.1±22.6 °C

Refractive Index：

1.604

Water Solubility：

Easily soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Iodoacetophenone Use and Manufacturing

The common substrate for palladium-catalyzed coupling reaction is also used to synthesize quinoline potential anticancer carriers.

Computed Properties

Molecular Weight:246.04
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:245.95416
Monoisotopic Mass:245.95416
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Iodoacetophenone

CAS No.: 13329-40-3

Content: 99.00%

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