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528994

Ethyl 3-iodobenzoate

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About This Item

Linear Formula:
IC6H4CO2C2H5
CAS Number:
58313-23-8
Molecular Weight:
276.07
NACRES:
NA.22
PubChem Substance ID:
24877634
UNSPSC Code:
12352100
MDL number:
MFCD00044769
Assay:
98%
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Quality Segment

assay

98%

refractive index

n20/D 1.581 (lit.)

bp

272 °C (lit.)

density

1.64 g/mL at 25 °C (lit.)

functional group

ester, iodo

SMILES string

CCOC(=O)c1cccc(I)c1

InChI

1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChI key

POGCXCWRMMXDAQ-UHFFFAOYSA-N

General description

Ethyl 3-iodobenzoate is a halogenated aromatic ester. It affords arylzinc bromide via reaction with i-PrMgBr in THF, followed by reaction with ZnBr2.

Application

Ethyl 3-iodobenzoate may be used to synthesize:
  • arylzinc bromide
  • functionalized arylmagnesium compound
  • ethyl3-phenylbenzoate
  • ethyl 3-[(12-tert-butyldimethylsilyloxymethyl-1,12-dicarba-closo-dodecaboran)-1-yl]benzoate
  • ethyl 3-(4-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)benzoate
  • ethyl 3-(1-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)benzoate

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

230.0 °F - closed cup

Flash Point (°C)

110 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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