2-amino-5-iodobenzoic acid

• ChemBase ID: 13756
• Molecular Formular: C7H6INO2
• Molecular Mass: 263.03251
• Monoisotopic Mass: 262.94432644
• SMILES: c1(ccc(c(c1)C(=O)O)N)I
• Canonical SMILES: Ic1ccc(c(c1)C(=O)O)N
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-iodobenzoic acid
• IUPAC Traditional name: 2-amino-5-iodobenzoic acid
• Synonyms: 5-Iodoanthranilic acid; 2-Amino-5-iodobenzoic acid 97%; 2-Amino-5-iodobenzoic acid; 2-Amino-5-iodobenzoic acid; 5-碘代邻氨基苯甲酸; 2-氨基-5-碘苯甲酸

Database IDs

• CAS Number: 5326-47-6
• EC Number: 226-205-7
• MDL Number: MFCD00007849
• Beilstein Number: 639029
• PubChem SID: 160977063; 24891043
• PubChem CID: 72911

CALCULATED PROPERTIES

• Acid pKa: 4.658505
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4096309
• LogD (pH = 7.4): -0.35731193
• Log P: 2.3808472
• Molar Refractivity: 51.3771 cm^3
• Polarizability: 19.151905 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219-221 °C (dec.)(lit.); 219-221°C(dec); 219-221(dec.)°C; ca 220°C dec.

Safety Information

• Storage Warning: Irritant; IRRITANT, LIGHT SENSITIVE; Light Sensitive
• RTECS: DG2802000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: H2NC6H3(I)CO2H

DETAILS

MP Biomedicals - 05201498

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A59603

Packaging
25 g in poly bottle
5 g in glass bottle