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528994

Sigma-Aldrich

Ethyl 3-iodobenzoate

98%

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About This Item

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

Quality Level

100

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 Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

528994-VAR:
528994-BULK:
528994-25G:4548173989280

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG7416V
MKBF0094V
MKBB1397
00216EJ
02626BJ

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