2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid | CAS No. 96-84-4
2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid
Basic Information
CAS Number
96-84-4
Molecular Formula
C11H11I3O3
Molecular Weight
571.92 g/mol
AD
Basic Physical Properties
Melting Point
146-148 °C
Density
2.2890 (estimate)
Safety Information
View Safety InformationHazard Statement
H302
Harmful if swallowed
Acute toxicity, oral
Acute toxicity, oral
H315
Causes skin irritation
Skin corrosion/irritation
Skin corrosion/irritation
H319
Causes serious eye irritation
Serious eye damage/eye irritation
Serious eye damage/eye irritation
H335
May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Toxicity
LD50 i.v. in mice: 374 mg/kg (Hoppe)
Synonyms & References
English
- NS00121672
- SR-01000883706
- SR-01000883706-1
- 4-10-00-00719 (Beilstein Handbook Reference)
- alpha -Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid
- alpha-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid, 97%
- BRN 2868146
- Teridax
- InChI=1/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17
- IOPHENOIC ACID
- ZB0794
- DTXCID9026265
- EN300-6762851
- Tox21_111944
- alpha-Ethyl-3-hydroxy-2,4,6-triiodobenzenepropanoic acid
- Iophenoxic acid
- UNII-73TJC7JGUY
- Acide iophenoique [INN-French]
- DTXSID1046265
- Acidum iophenoicum [INN-Latin]
- 96-84-4
- alpha-Ethyl-beta-(3-hydroxy-2,4,6-triiodophenyl)propionic acid
- CHEMBL1551165
- ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMICACID
- SCHEMBL966564
- Triiodoethionic acid
- 73TJC7JGUY
- Iophenoic acid [INN]
- Iophenoxic acid [USP]
- Acido iofenoico
- 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
MDL Number
MFCD00133419
Customs Code
2918199090
FAQ
What are the physical and chemical properties of 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4)?
2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4) is a crystalline solid with a molecular weight of approximately 556.23 g/mol. It has a melting point of 250-252°C and is poorly soluble in water. It is reactive towards nucleophiles and demonstrates electrophilic aromatic substitution reactivity due to the presence of the triiodo group.
How is 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4) typically synthesized?
2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4) is typically synthesized through a multi-step process starting with 3-hydroxybenzaldehyde and iodination to form the triiodinated benzyl group, followed by butylation and acylation. Common catalysts include palladium and potassium iodide, with yields around 70%.
What industries use 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4)?
2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4) is used in pharmaceuticals for the development of iodinated compounds, in polymers for functionalization, and in sensors for detection of specific analytes. Its reactivity makes it valuable in semiconductor applications as well.
What precautions should be taken when handling 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4)?
When handling 2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid (CAS: 96-84-4), ensure the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a fume hood, and avoid skin contact and inhalation. In case of spill, neutralize with an appropriate agent and dispose of according to laboratory safety protocols. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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