ChemicalBook--->CAS DataBase List--->5326-47-6

5326-47-6

5326-47-6 Structure

5326-47-6 Structure
IdentificationMore
[Name]

2-Amino-5-iodobenzoic acid
[CAS]

5326-47-6
[Synonyms]

5-IODOANTHRANILIC ACID
TIMTEC-BB SBB001006
2-amino-5-iodo-benzoicaci
5-iodo-anthranilicaci
5-Iodoanthranillic acid
5-iodoanthranil acid
2-AMINO-5-IODOBENZOIC ACID (5-IODOANTHRANILIC ACID)
5-Iodoanthanilic acid
[EINECS(EC#)]

226-205-7
[Molecular Formula]

C7H6INO2
[MDL Number]

MFCD00007849
[Molecular Weight]

263.03
[MOL File]

5326-47-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

219-221 °C (dec.) (lit.)
[Boiling point ]

383.2±37.0 °C(Predicted)
[density ]

1.8886 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

4.59±0.10(Predicted)
[color ]

Beige or gray to purple
[Water Solubility ]

Soluble in alcohol. Insoluble in water.
[Sensitive ]

Light Sensitive
[BRN ]

639029
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
[InChIKey]

GOLGILSVWFKZRQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(I)=CC=C1N
[CAS DataBase Reference]

5326-47-6(CAS DataBase Reference)
[Storage Precautions]

Air sensitive;Moisture sensitive
[EPA Substance Registry System]

5326-47-6(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

To the mixture of 2.89 g (18.2 mmol) sodium 2- aminobenzoate, 40 mL acetic acid and 2.31 g (9.1 mmol) molecular iodine, 5 mL (44.1 mmol, 30 wt %) aqueous hydrogen peroxide was added drop wise. The S3 reaction mixture was stirred at 50 °C for 3 h and poured into 400 mL water. The formed crystals were filtered and recrystallized from benzene to give 2-azido-5- iodobenzoic acid . IR (suspension in nujol, cm−1 ): 3500, 3387, 1670, 1612, 1580, 1541, 1419, 1377, 1319, 1290, 1163, 1125, 813, 688, 619.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DG2802000
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT, LIGHT SENSITIVE
[HS Code ]

29224999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Potassium hydroxide-->Sodium bisulfite-->Iodine-->Anthranilic acid-->Iodine monochloride-->Iodine chloride solution (Wijs' chloride)
[Preparation Products]

2,3,5-Triiodobenzoic acid-->5-Iodoisobenzofuran-1,3-dione-->2-Amino-6-iodoquinazolin-4(1H)-one-->6-Iodo-2-phenyl-4H-benzo[d][1,3]oxazin-4-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Amino-5-iodobenzoic acid(5326-47-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

2-Amino-5-iodobenzoic acid is used in wide range of medicals industrial applications as well as in human and animal nutrition products such as pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
[reaction suitability]

reaction type: solution phase peptide synthesis
[References]

[1] Tetrahedron Letters, 2006, vol. 47, # 28, p. 4793 - 4796
[2] Synlett, 2014, vol. 25, # 1, p. 148 - 152
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 11, p. 2558 - 2565
[4] Medicinal Chemistry Research, 2016, vol. 25, # 6, p. 1125 - 1139
[5] Synthetic Communications, 2008, vol. 38, # 11, p. 1792 - 1798
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-5-iodobenzoic acid(5326-47-6)MS
2-Amino-5-iodobenzoic acid(5326-47-6)1HNMR
2-Amino-5-iodobenzoic acid(5326-47-6)13CNMR
2-Amino-5-iodobenzoic acid(5326-47-6)IR1
2-Amino-5-iodobenzoic acid(5326-47-6)IR2
2-Amino-5-iodobenzoic acid(5326-47-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Amino-5-iodobenzoic acid, 98%(5326-47-6)
[Alfa Aesar]

2-Amino-5-iodobenzoic acid, 98%(5326-47-6)
[Sigma Aldrich]

5326-47-6(sigmaaldrich)
[TCI AMERICA]

5-Iodoanthranilic Acid,>98.0%(T)(5326-47-6)
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