| Identification | More | [Name]
3-Iodophenylacetic acid | [CAS]
1878-69-9 | [Synonyms]
3-IODOPHENYLACETIC ACID
M-IODOPHENYLACETIC ACID
RARECHEM AL BO 0414
m-Iodobenzeneacetic acid | [EINECS(EC#)]
626-345-2 | [Molecular Formula]
C8H7IO2 | [MDL Number]
MFCD00046548 | [Molecular Weight]
262.04 | [MOL File]
1878-69-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
127-131 °C (lit.) | [Boiling point ]
347.2±25.0 °C(Predicted) | [density ]
1.885±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
pK1:4.159 (25°C) | [color ]
White to Light yellow to Light orange | [Sensitive ]
Light Sensitive | [BRN ]
2501867 | [InChI]
InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11) | [InChIKey]
MRSWWBAFGGGWRH-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=CC(I)=C1 | [CAS DataBase Reference]
1878-69-9(CAS DataBase Reference) |
| Safety Data | Back 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 . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT, LIGHT SENSITIVE | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow solid | [Synthesis]
General procedure for the synthesis of 3-iodophenylacetic acid from 2-(3-iodophenyl)acetonitrile: 0.2 g of 2-(3-iodophenyl)acetonitrile was dissolved in 1.0 mL of 1.0 M aqueous sodium hydroxide solution and the reaction was carried out at reflux for 4 h. After the reaction was completed, the aqueous phase was extracted with ether. After completion of the reaction, the reaction mixture was extracted with ether and the aqueous phase was acidified with 1.0 M hydrochloric acid solution to pH<7. The acidified aqueous phase was again extracted with ether, and the organic phases were combined, washed with distilled water and dried over anhydrous sodium sulfate. The desiccant was removed by filtration and the filtrate was concentrated under reduced pressure to give 0.17 g of 3-iodophenylacetic acid in 83% yield. The product was characterized by 1H NMR (DMSO-d6): δ 7.65 (s, 1H), 7.5 (d, 1H), 7.3 (d, 1H), 7.1 (m, 1H), 3.6 (s, 2H). | [References]
[1] Patent: US2004/72871, 2004, A1. Location in patent: Page/Page column 19 |
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