| Identification | More | [Name]
2-IODO-5-METHYLBENZOIC ACID | [CAS]
52548-14-8 | [Synonyms]
2-IODO-5-METHYLBENZOIC ACID
BUTTPARK 144\07-19
2-IODO-5-METHYLBENZOIC ACID,97+% | [EINECS(EC#)]
200-002-4 | [Molecular Formula]
C8H7IO2 | [MDL Number]
MFCD00079765 | [Molecular Weight]
262.04 | [MOL File]
52548-14-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
122-124°C | [Boiling point ]
321.4±30.0 °C(Predicted) | [density ]
1.867±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
solid | [pka]
2.93±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) | [InChIKey]
INGWGCDYAJKXKP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C)=CC=C1I | [CAS DataBase Reference]
52548-14-8(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
WGK 3 | [HazardClass ]
LIGHT SENSITIVE | [HS Code ]
2916399090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
Using 3-methylbenzoic acid (20 g, 0.15 mol) as raw material, the reaction was carried out according to the procedure of Example 1. Upon completion of the reaction, the conversion of 3-methylbenzoic acid was 50%. The products were isolated to give 1) 6-iodo-3-methylbenzoic acid in 40% yield and 2) other regional isomers of iodide in 8% yield. The ratio of product 1) to product 2) was 5:1. | [References]
[1] ACS Catalysis, 2018, vol. 8, # 2, p. 920 - 925
[2] Patent: EP1595862, 2005, A1. Location in patent: Page/Page column 8
[3] Patent: EP1595862, 2005, A1. Location in patent: Page/Page column 8
[4] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1974, p. 2405 - 2409
[5] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973, p. 2940 - 2948 |
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