Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

560499

Sigma-Aldrich

2-Iodo-3-methylbenzoic acid

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
IC6H3(CH3)CO2H
CAS Number:
108078-14-4
Molecular Weight:
262.04
MDL number:
MFCD00079764
UNSPSC Code:
12352100
PubChem Substance ID:
24879870
Assay:
97%

Assay

97%

mp

150-153 °C (lit.)

functional group

carboxylic acid
iodo

SMILES string

Cc1cccc(C(O)=O)c1I

InChI

1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

InChI key

PZUXUOZSSYKAMX-UHFFFAOYSA-N

Application

2-Iodo-3-methylbenzoic acid may be used in the synthesis of:
  • methyl 2-iodo-3-methylbenzoate[1]
  • 10,11-dihydro-10-oxodibenz[b,f]oxepin-4-acetic acid[2]
  • 5-methyl-3-pentyl-1H-isochromen-1-one[3]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCR0731
MKCQ9608
MKCQ7982
MKCJ5804
MKBZ5739V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

G W Rewcastle et al.
Journal of medicinal chemistry, 34(2), 491-496 (1991-02-01)
A series of tricyclic analogues of 9-oxo-9H-xanthene-4-acetic acid have been prepared and evaluated for their ability to cause hemorrhagic necrosis in subcutaneously implanted colon 38 tumors in mice, in an effort to extend the structure-activity relationships for this series. As
Asymmetric allylic oxidation with biarylbisoxazoline-copper (I) catalysis.
Andrus MB and Asgari D.
Tetrahedron, 56(32), 5775-5780 (2000)
Veronika Hampl et al.
Scientia pharmaceutica, 79(1), 21-30 (2011-05-28)
New isocoumarins were prepared in an efficient way from 2-iodobenzoic acid derivatives and hept-1-yne in a Sonogashira reaction, followed by spontaneous cyclization. Catalytic hydrogenation gave the corresponding dihydroisocoumarins. A 4-chloroisocoumarin was prepared on an alternative pathway. Some of the new

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service