4-tert-butyl-3-iodobenzoic acid is a chemical compound characterized by the molecular formula C12H13IO2. It is a derivative of benzoic acid, featuring a tert-butyl group and an iodine atom attached to the third and fourth carbon atoms, respectively. 4-tert-butyl-3-iodobenzoic acid is recognized for its unique structure and reactivity, which positions it as a valuable asset in the fields of chemistry and biochemistry.
91131-72-5
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Basic information
- Product Name: 4-tert-butyl-3-iodobenzoic acid
- Synonyms: 4-tert-butyl-3-iodobenzoic acid
- CAS NO:91131-72-5
- Molecular Formula: C11H13IO2
- Molecular Weight: 304.12419
- EINECS: N/A
- Product Categories: N/A
- Mol File: 91131-72-5.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 355.183°C at 760 mmHg
- Flash Point: 168.609°C
- Appearance: /
- Density: 1.595g/cm3
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: 1.591
- Storage Temp.: 2-8°C(protect from light)
- Solubility: N/A
- PKA: 4.05±0.10(Predicted)
- CAS DataBase Reference: 4-tert-butyl-3-iodobenzoic acid(CAS DataBase Reference)
- NIST Chemistry Reference: 4-tert-butyl-3-iodobenzoic acid(91131-72-5)
- EPA Substance Registry System: 4-tert-butyl-3-iodobenzoic acid(91131-72-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 91131-72-5(Hazardous Substances Data)
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91131-72-5 Usage
Uses
Used in Organic Synthesis:4-tert-butyl-3-iodobenzoic acid serves as a building block in organic synthesis, where it is utilized to create a variety of other chemicals and pharmaceuticals. Its distinctive molecular structure makes it a versatile component in the development of new compounds with potential applications across different industries.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 4-tert-butyl-3-iodobenzoic acid is used as a key intermediate in the synthesis of drugs. Its potential biological and pharmacological properties are of interest to researchers, who are exploring its use in the creation of novel therapeutic agents.
Used in Research:
4-tert-butyl-3-iodobenzoic acid is also employed as a research tool in various scientific studies. Its reactivity and structural features make it an important compound for understanding chemical reactions and exploring new methodologies in synthetic chemistry and biochemistry.
Check Digit Verification of cas no
The CAS Registry Mumber 91131-72-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,1,3 and 1 respectively; the second part has 2 digits, 7 and 2 respectively.Calculate Digit Verification of CAS Registry Number 91131-72:
(7*9)+(6*1)+(5*1)+(4*3)+(3*1)+(2*7)+(1*2)=105
105 % 10 = 5
So 91131-72-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H13IO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)
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4-tert-butyl-3-iodobenzoic acid
