4-Iodobenzoic acid
Based on 1 Customer Validation
4-Iodobenzoic acid is a 4-iodobenzoic acid that crystallizes as a dimer in the monoclinic space group P21/n, with a phase transition center temperature of 230.77 K, and exhibits intermolecular iodine-iodine van der Waals interactions. 4-Iodobenzoic acid can be used in studies of hydrogen bonding, crystal packing and solid-state phase transitions.
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- Reinheit : 99.82%
- CAS. Nr.: 619-58-9
- Formel: C7H5IO2
- Molecular Weight:248.02
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Speicherung:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biologische Aktivität
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Chemical Information
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Lösungsmittel & Löslichkeit
- Reinheit & Dokumentation
- Verweise
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Help & FAQs
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HY-B1008
4-Aminobenzoic acidFolate Synthesis Intermediate -
HY-Y0264
4-Hydroxybenzoic acid -
HY-Y0264R
4-Hydroxybenzoic acid (Standard) -
HY-W002179
4-IodobenzaldehydeSynthetic intermediate -
HY-B1008R
4-Aminobenzoic acid (Standard)Folate Synthesis Intermediate -
HY-75102
4-Boronobenzoic acidBiochemical Reagent -
HY-77433
o-Iodobenzoic acidBiochemical Reagent -
HY-W001939
4-Acetylbenzoic acidDerivative of Benzoic Acid -
HY-W001939R
4-Acetylbenzoic acid (Standard)Derivative of Benzoic Acid
Biologische Aktivität
Beschreibung
In Vitro
4-Iodobenzoic acid forms flaky crystals after recrystallization from acetone. Variable-temperature single-crystal X-ray diffraction shows that it maintains the P21/n space group in the range of 103-298 K, and its carboxyl groups form inversion-centered dimers via strong hydrogen bonds[1].
The dimers of 4-Iodobenzoic acid further form layered stacking through I-I interactions; the I-I distance between adjacent layers is approximately 3.932-3.992 Å, which falls within the range of the sum of the van der Waals radii of two iodine atoms, indicating that I-I contacts are important forces affecting crystal packing in addition to hydrogen bonds[1].
4-Iodobenzoic acid exhibits a broad endothermic phase transition at approximately 230.77 K, with an onset temperature of about 222.58 K, which is basically completed by 233.44 K; this phase transition is accompanied by changes in the relaxation behavior of ring carbons in solid-state 13C NMR, but does not cause obvious molecular structural rearrangement[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS. Nr. 619-58-9
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Appearance Solid
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Molecular Weight 248.02
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Formel C7H5IO2
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Color White to off-white
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SMILES
O=C(C1=CC=C(C=C1)I)O
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Lösungsmittel & Löslichkeit
In Vitro:
DMSO : 87.5 mg/mL (352.79 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
Reinheit & Dokumentation
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Data Sheet (280 KB)
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SDS (394 KB)
- English - EN (394 KB)
- Français - FR (394 KB)
- Deutsch - DE (394 KB)
- Norwegian - NO (394 KB)
- Español - ES (394 KB)
- Swedish - SV (394 KB)
- Italian - IT (394 KB)
- Korean - KR (394 KB)
- Portuguese - PT (394 KB)
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Handling Instructions (2659 KB)
Verweise
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 4.0319 mL | 20.1597 mL | 40.3193 mL | 100.7983 mL |
| 5 mM | 0.8064 mL | 4.0319 mL | 8.0639 mL | 20.1597 mL | |
| 10 mM | 0.4032 mL | 2.0160 mL | 4.0319 mL | 10.0798 mL | |
| 15 mM | 0.2688 mL | 1.3440 mL | 2.6880 mL | 6.7199 mL | |
| 20 mM | 0.2016 mL | 1.0080 mL | 2.0160 mL | 5.0399 mL | |
| 25 mM | 0.1613 mL | 0.8064 mL | 1.6128 mL | 4.0319 mL | |
| 30 mM | 0.1344 mL | 0.6720 mL | 1.3440 mL | 3.3599 mL | |
| 40 mM | 0.1008 mL | 0.5040 mL | 1.0080 mL | 2.5200 mL | |
| 50 mM | 0.0806 mL | 0.4032 mL | 0.8064 mL | 2.0160 mL | |
| 60 mM | 0.0672 mL | 0.3360 mL | 0.6720 mL | 1.6800 mL | |
| 80 mM | 0.0504 mL | 0.2520 mL | 0.5040 mL | 1.2600 mL | |
| 100 mM | 0.0403 mL | 0.2016 mL | 0.4032 mL | 1.0080 mL |
4-Iodobenzoic acid Related Classifications
HY-W013396 Related Classifications
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Keywords
- 4-Iodobenzoic acid
- 619-58-9
- Biochemical Assay Reagents
- 13C CPMAS NMR resonances
- intermolecular iodine-iodine van der Waals interactions
- monoclinic space group P21/n
- interlayer iodine-iodine contacts
- ring carbon relaxation time
- phase transition
- hydrogen-bonded dimer
- van der Waals radii
- 4-halo benzoic acid
- Inhibitor
- inhibitor
- inhibit