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| CAS No.: | 64-69-7 |
|---|---|
| Name: | Iodoacetic acid |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H3IO2 |
| Molecular Weight: | 185.949 |
| Synonyms: | Aceticacid, iodo- (8CI,9CI);2-Iodoacetic acid;CH2ICOOH;Iodoacetic acid;MIA;Monoiodoacetic acid;NSC 2125; |
| EINECS: | 200-590-1 |
| Density: | 2.479 g/cm3 |
| Melting Point: | 79-83 °C |
| Boiling Point: | 262.102 °C at 760 mmHg |
| Flash Point: | 112.316 °C |
| Solubility: | 600 g/L (20 °C ) |
| Appearance: | white to light yellow crystalline powder |
| Hazard Symbols: |
 T,  C
|
| Risk Codes: | 25-35 |
| Safety: | 22-36/37/39-45 |
| Transport Information: | UN 2923 8/PG 1 |
| PSA: | 37.30000 |
| LogP: | 0.50600 |
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Chemistry
IUPAC Name: 2-Iodoacetic acid
CAS: 64-69-7
EINECS: 200-590-1
Product Categories:
Following is the Molecular Structure of Iodoacetic acid (64-69-7):
SMILES: ICC(=O)O
InChI: InChI=1/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey: JDNTWHVOXJZDSN-UHFFFAOYAA
Std.InChI: InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
Std.InChIKey: JDNTWHVOXJZDSN-UHFFFAOYSA-N
Molecular Formula: C2H3IO2
Molecular Weight: 185.95
Melting Point: 79℃
Boiling Point: 262.1℃ at 760mmHg
Flash Point: 112.3℃
Molar Volume: 75cm3
Density: 2.479g/cm3
Index of Refraction: 1.605
Molar Refractivity: 25.84cm3
Surface Tension: 58.5dyne/cm
Polarizability: 10.24 10-24cm3
Enthalpy of Vaporization: 55.03kJ/mol
Vapour Pressure: 0.00329mmHg at 25℃
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 45mg/kg (45mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963. |
| guinea pig | LD50 | skin | 125mg/kg (125mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0571891, |
| rabbit | LDLo | subcutaneous | 60mg/kg (60mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY | Journal of Physiology. Vol. 80, Pg. 360, 1934. |
| rat | LCLo | inhalation | 94gm/m3/30M (94000mg/m3) | Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978. | |
| rat | LD | parenteral | > 4uL/kg (0.004mL/kg) | BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES | Journal of Neurochemistry. Vol. 69, Pg. 285, 1997. |
| rat | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978. | |
| rat | LD50 | subcutaneous | 60mg/kg (60mg/kg) | BEHAVIORAL: FLUID INTAKE BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toxicology and Applied Pharmacology. Vol. 26, Pg. 93, 1973. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
T Toxic, 
C Corrosive.
Risk Statements: 25-35
R25: Toxic if swallowed.
R35: Causes severe burns.
Safety Statements: 22-36/37/39-45
S22: Do not breathe dust.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 2923 8/PG 1
WGK: Germany 1
RTECS: AI3500000
F: 8-9
HazardClass: 8
PackingGroup: II
HS Code: 29159080
A poison by ingestion, subcutaneous, and intravenous routes. Experimental teratogenic effects. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Human mutation data reported.
Specification
Iodoacetic acid (64-69-7),which also can be called for Vitas-BB TBB000669 ; Aceticacid,iodo- ; CH2ICOOH ; IA ; Iodoacetate ; Iodoacetic ; Iodo-aceticaci ; Kyselina jodoctova .When Iodoacetic acid (64-69-7) was heated,it emits toxic fumes of I−. Iodoacetic acid (64-69-7) is a white to light yellow crystalline powder.This chemical is stable and it's incompatible with strong oxidizing agents, bases, strong reducing agents. It should be stored at -20 C.It may be sensitive to heat, light, and air. It's water soluble.