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Iodoacetic acid

Organic compound
Iodine acetic acid, an organic compound, chemical formula C two H three IO two , a white crystalline powder, soluble in water, hot petroleum ether, ethanol, insoluble in ether, chloroform, used as an analytical reagent, dye preparation, organic synthesis and enzyme inhibitor.
Chinese name
Iodoacetic acid
Foreign name
Iodoacetic acid
chemical formula
C two H three IO two
molecular weight
one hundred and eighty-five point nine four eight
CAS login number
64-69-7
EINECS login number
200-590-1
Melting point
79 ℃
Water solubility
soluble
Density
2.27 g/cm ³
Appearance
White crystalline powder
Security description
S22; S36/37/39; S45
Hazard symbol
T; C
Hazard description
R25; R35
MDL No
MFCD00002685
RTECS No
AI3500000
BRN No
one million seven hundred and thirty-nine thousand and seventy-nine
PubChem No
two million four hundred and eighty-nine thousand six hundred and five

Physical and chemical properties

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Melting point: 79 ℃
Density: 2.27g/cm three
Appearance: white crystalline powder
Solubility: soluble in water, hot petroleum ether, ethanol, insoluble in ether, chloroform

Molecular structure data

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Molar refractive index: 25.84
Molar volume (cm three /mol):75.0
Isotonic specific volume (90.2K): 207.5
Surface tension (dyne/cm): 58.5
Polarization (10 -24 cm three ):10.24 [1]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): 0.5
Number of hydrogen bond donors: 1
Number of hydrogen bond receptors: 2
Number of rotatable chemical bonds: 1
Number of tautomers: 0
Topological molecular polar surface area: 37.3
Number of heavy atoms: 5
Surface charge: 0
Complexity: 42.9
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [1]

toxicology data

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1. Acute toxicity
LD fifty : 83mg/kg (rat by mouth); 75mg/kg (rat abdominal cavity); 83mg/kg (mouse by mouth).
2. Subacute and chronic toxicity: rats were fed with feed containing this product at a dose of 50~70mg/(kg · d), and died within 10~40d.
3. Mutagenicity
DNA inhibition: human Hela cell 500 μ mol/L。
Cytogenetic analysis: hamster fibroblast 100 μ g/L。
4. Teratogenicity: The lowest toxic dose of 158mg/kg was administered orally to male mice before mating, resulting in craniofacial (including nose and tongue) malformations. Female mice were administered 40mg/kg intraperitoneally on the 8th day after pregnancy, resulting in malformation of musculoskeletal system.
5. Carcinogenicity: the lowest dermal toxic dose (TDLo) of mice: 5800mg/kg (27 weeks), causing tumors, skin tumors, and tumors at the application site.
6. Others: The lowest intraperitoneal toxic dose (TDLo) of mice: 40g/kg (8 days of pregnancy), resulting in abnormal musculoskeletal development.

Storage method

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Store in a cool and ventilated warehouse. Keep away from kindling and heat sources. Packing and sealing. It shall be stored separately from oxidants, reducing agents, alkalis and edible chemicals, and mixed storage is strictly prohibited. Equip with corresponding types and quantities of fire-fighting equipment. The storage area shall be equipped with appropriate materials to contain leakage. [1-2]

purpose

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Used as analytical reagent, dye preparation, organic synthesis and enzyme inhibitor.

Leakage emergency treatment

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Isolate the leakage contaminated area, set up warning signs around it, and suggest emergency treatment personnel to wear gas masks and chemical protective clothing. Do not contact with the leakage directly. Collect it in a dry, clean and covered container with a clean shovel and transport it to the waste disposal site. The floor can also be sprinkled with soda ash, and then washed with a large amount of water. The diluted washing water is put into the wastewater system. If there is a large amount of leakage, it shall be collected and recycled or discarded after harmless treatment.

Protective measures

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Respiratory protection: When the concentration in the air is high, you should wear a gas mask. Wear self-contained breathing apparatus during emergency rescue or escape.
Eye protection: wear chemical safety goggles.
Protective clothing: wear work clothes (made of anti-corrosion materials).
Hand protection: wear rubber gloves.
Others: After work, take a shower and change clothes. Pay attention to personal hygiene.

First aid measures

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Skin contact: Take off the contaminated clothes and wash with flowing water for 10 minutes or 2% sodium bicarbonate solution. In case of burns, seek medical treatment.
Eye contact: immediately lift the eyelids and flush with flowing water or normal saline for at least 15 minutes.
Inhalation: quickly leave the site to a place with fresh air. Keep the respiratory tract unobstructed. Perform artificial respiration when necessary. Get medical attention.
Ingestion: Rinse the mouth immediately and give milk or egg white to those who take it by mistake. Get medical attention.
Extinguishing method: fog water, foam, carbon dioxide, sand. [3]

security information

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Safety terminology

S22:Do not breathe dust.
Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Wear appropriate protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the lable where possible).
In case of an accident or feeling unwell, seek medical advice immediately (show the label if possible).

Risk terminology

R25:Toxic if swallowed.
Toxic if swallowed.
R35:Causes severe burns.
Causes serious burns.