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| CAS No.: | 144-48-9 |
|---|---|
| Name: | 2-Iodoacetamide |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C2H4INO |
| Molecular Weight: | 184.964 |
| Synonyms: | Acetamide,iodo- (6CI);2-Iodoacetamide;Deltop;Monoiodoacetamide;NSC9581;Surauto;a-Iodoacetamide; |
| EINECS: | 205-630-1 |
| Density: | 2.278 g/cm3 |
| Melting Point: | 92-95 °C(lit.) |
| Boiling Point: | 297.1 °C at 760 mmHg |
| Flash Point: | 133.5 °C |
| Solubility: | slightly soluble in water |
| Appearance: | yellow-brown crystals |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-42/43-43-36/37/38 |
| Safety: | 22-36/37-45-37/39-26-24 |
| Transport Information: | UN 2811 6.1/PG 3 |
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Consensus Reports
Specification
The Iodoacetamide , with cas registry number of 144-48-9, belongs to the classes of (1)Carboxylic ; (2)API intermediates ; (3)Carnitine acetyltransferaseResearch Essentials ; (4)Galactose oxidaseEnzyme Inhibitors by Enzyme ; (5)Phosphogluconic dehydrogenase, 6- ; (6)Core Bioreagents ; (7)Enzyme Inhibitors by Enzyme ; (8)Enzyme InhibitorsEnzyme Inhibitors by Enzyme ; (9)Galactose oxidaseStable Isotopes ; (10)Metabolic Labeling ProductsEnzyme Inhibitors by Enzyme ; (11)Biomolecular MS. Its systematic name and IUPAC name are called the same which is called 2-iodoacetamide . This chemical is sensitive to light. It is also incompatible with strong oxidizing agents, strong bases, reducing agents, acids. It is stored at temp. 2-8°C.
Physical properties about this chemical are: (1) ACD/LogP: -0.19 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -0.19 ; (4) ACD/LogD (pH 7.4): -0.19 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 18.75 ; (8) ACD/KOC (pH 7.4): 18.75 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 1 ; (12) Index of Refraction: 1.602 ; (13) Molar Refractivity: 27.84 cm3 ; (14) Molar Volume: 81.1 cm3 ; (15) Surface Tension: 53.7 dyne/cm ; (16) Density: 2.278 g/cm3 ; (17) Flash Point: 133.5 °C ; (18) Enthalpy of Vaporization: 53.69 kJ/mol ; (19) Boiling Point: 297.1 °C at 760 mmHg ; (20) Vapour Pressure: 0.00138 mmHg at 25°C.
Uses of Iodoacetamide : this chemical is an alkylating sulfhydryl reagent. It can used to prepare many other chemicals. Here is an example. It can react with adamantan-1-ol to give N-adamantan-1-yl-2-iodo-acetamide .
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This chemical occurs at temperature of 25 ℃ using reagent 94 percent sulfuric acid for 2 hours. The yield is about 71%.
When you are using this chemical, please be cautious about it as the following:
A poison by ingestion, intraperitoneal, and intravenous routes. Questionable carcinogen with
experimental tumorigenic data. Human mutation data reported. When heated to decomposition it
emits very toxic fumes of I- and NOx. When you are using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust and avoid contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES:ICC(=O)N;
(2)InChI:InChI=1/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5);
(3)InChIKey:PGLTVOMIXTUURA-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02060, | |
| mouse | LD50 | oral | 74mg/kg (74mg/kg) | Archives of Toxicology. Vol. 47, Pg. 179, 1981. |