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2'-Iodoacetophenone

2'-Iodoacetophenone structure

CAS No:
2142-70-3
Formula:
C8H7IO
Chemical Name:
2'-Iodoacetophenone
Synonyms:
O-IODOACETOPHENONE;2-IODOACETOPHENONE;2'-IODOACETOPHENONE;2''-IODOACETOPHENONE97%;1-(2-iodophenyl)ethanone;2'-IODOACETOPHENONE,99+%;2'-Iodoacetophenone,98+%;1-(2-Iodophenyl)ethan-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear yellow liquid

2'-Iodoacetophenone Basic Attributes

Molecular Weight：

246.05

Exact Mass：

245.95400

BRN：

2325078

NSC Number：

46625

DSSTox ID：

DTXSID30286592

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.3

Appearance：

Clear yellow Liquid

Density：

1.72 g/mL at 25 °C(lit.)

Boiling Point：

139-140°C12mm

Flash Point：

218 °F

Refractive Index：

n20/D 1.618(lit.)

Vapor Pressure：

0.00779mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38

safety instructions：

26-36-24/25

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2'-Iodoacetophenone Use and Manufacturing

General procedure: A round-bottom flask was charged with alcohol (2 mmol), CuOTf (0.1 mmol, 0.05 equiv) (S)-5-(pyrrolidin-2-yl)-1H-tetrazole (0.1 mmol, 0.05 equiv), TEMPO (0.1 mmol, 0.05 equiv), t-BuOK (2 mmol, 1 equiv) and DMF (5 ml). The reaction mixture was stirred at 25 °C open to air until the completion of the reaction, as monitored by TLC. The mixture was then diluted with CH

Computed Properties

Molecular Weight:246.04
XLogP3:2.3
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:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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