3-Iodophthalic acid

Basic Information

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CAS Number

6937-34-4

Molecular Formula

C8H5IO4

Molecular Weight

292.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

205 ºC

Boiling Point

426.3°C at 760 mmHg

Density

2.138±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC(=C(C(=C1)I)C(=O)O)C(=O)O

InChI

InChI=1S/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

HNPVERUJGFNNRV-UHFFFAOYSA-N

LogP

1.6876000000000002

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

228

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SY041682
A836458
MixCom3_000193
BCP18647
ZB1715
6937-34-4
AMY4085
Maybridge1_008994
DTXSID10285629
ENFENAMICACID
3-IODO-PHTHALIC ACID
NSC42518
CS-0041130
SR-01000003396-1
SR-01000003396
1,2-Benzenedicarboxylicacid,3-iodo-
SCHEMBL3034481
FT-0615912
MFCD00275568
1,2-Benzenedicarboxylic acid, 3-iodo-
NSC-42518
AKOS015891133
J-512703
AC-26484
C8H5IO4
3-Iodobenzene-1,2-dicarboxylic acid
3-iodophthalic acid
3-IODOPHTHALICACID
HNPVERUJGFNNRV-UHFFFAOYSA-N
DS-17440
3-Iodophthalic acid

MDL Number

MFCD00275568

Customs Code

2917399090

FAQ

What are the physical and chemical properties of 3-Iodophthalic acid (CAS: 6937-34-4)?

3-Iodophthalic acid (CAS: 6937-34-4) is a crystalline compound with a molecular weight of approximately 285.20 g/mol. It has a pKa of about 4.7, indicating a weak acid. The compound is soluble in water and ethanol. It exhibits limited reactivity and is stable under normal conditions but should be protected from moisture and heat to prevent degradation.

How is 3-Iodophthalic acid (CAS: 6937-34-4) typically synthesized?

3-Iodophthalic acid is typically synthesized by the iodination of phthalic anhydride using iodine and a phase transfer catalyst. The iodination process is selective and yields high purity product. The reaction is conducted in a solvent such as acetonitrile or dioxane under reflux conditions, followed by recrystallization to obtain the desired crystalline form.

What industries use 3-Iodophthalic acid (CAS: 6937-34-4)?

3-Iodophthalic acid (CAS: 6937-34-4) is used in various industries, including pharmaceuticals, where it can be used as an intermediate in the synthesis of certain drugs. It is also utilized in the production of polymers, where its unique properties can enhance material performance. Additionally, it is employed in the development of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling 3-Iodophthalic acid (CAS: 6937-34-4)?

When handling 3-Iodophthalic acid (CAS: 6937-34-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to vapors. Store the compound in a cool, dry place, away from heat and moisture. In case of spills, immediately clean up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal.