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Name |
Iodoform |
EINECS | 200-874-5 |
CAS No. | 75-47-8 | Density | 3.864g/cm3 |
PSA | 0.00000 | LogP | 2.57500 |
Solubility | insoluble in water, soluble in benzene,diethyl ether and acetone | Melting Point |
119-122 °C |
Formula | CHI3 | Boiling Point | 250.668 °C at 760 mmHg |
Molecular Weight | 393.732 | Flash Point | 128.988 °C |
Transport Information | UN 1851 | Appearance | yellow solid with a characteristic pungent and |
Safety | 26-36/37/39-22 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Carbontriiodide;Dezinfekt V;NSC 26251;Triiodomethane; |
Article Data | 159 |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; iodine In water; Petroleum ether at 0℃; for 12h; Reagent/catalyst; Solvent; | A 30% B 85% |
Conditions | Yield |
---|---|
With iodonitrogen |
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With iodine | |
With iodine in gleicher Weise entsteht es aus Aceton,Aldehyd,Milchsaeure usw.,ueberhaupt aus Koerpern,welche die Gruppen CH3.CO.C...oder CH3.CH(OH).C...enthalten; | |
With water; iodine; potassium carbonate ueber mehrere Stufen; |
Conditions | Yield |
---|---|
With calcium iodide at 100℃; |
Conditions | Yield |
---|---|
beim Belichtung; |
Conditions | Yield |
---|---|
With water; calcium oxide In methanol; water hydrolysis of CI4 in MeOH in the presence of CaO or sodium phenolate, no formation of CHI3;; | 0% |
With water; potassium iodide In water formation of CHI3 on boiling CI4 with H2O in the presence of KI or dild. mineral acids;; | |
With potassium cyanide | |
With potassium hydroxide |
Iodoform, with the CAS registry number 75-47-8, is also named as Triiodomethane. It belongs to the product category of Organics. Its EINECS number is 200-874-5. This chemical's molecular formula is CHI3 and molecular weight is 393.73. What's more, its systematic name is Iodoform. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Mutation data; (3)Tumor data.This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and fire. It is occasionally used as a disinfectant.
Physical properties of Iodoform are: (1)ACD/LogP: 3.118; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.00; (6)ACD/BCF (pH 7.4): 138.00; (7)ACD/KOC (pH 5.5): 1183.94; (8)ACD/KOC (pH 7.4): 1183.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.851; (13)Molar Refractivity: 45.549 cm3; (14)Molar Volume: 101.897 cm3; (15)Polarizability: 18.057×10-24cm3; (16)Surface Tension: 66.8 dyne/cm; (17)Density: 3.864 g/cm3; (18)Flash Point: 128.988 °C; (19)Enthalpy of Vaporization: 46.821 kJ/mol; (20)Boiling Point: 250.668 °C at 760 mmHg; (21)Vapour Pressure: 0.03 mmHg at 25°C.
Preparation of Iodoform: this chemical can be synthesized in the haloform reaction by the reaction of iodine and sodium hydroxide with any one of these four kinds of organic compounds: (i) a methyl ketone: CH3COR, acetaldehyde, ethanol, and certain secondary alcohols (CH3CHROH, where R is an alkyl or aryl group).
Uses of Iodoform: it can be used to produce 1,1-diiodo-octan-2-ol at the temperature of 0 °C. It will need reagents samarium iodide, 1 M HCl and solvent tetrahydrofuran with the reaction time of 45 min. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: IC(I)I
(2)Std. InChI: InChI=1S/CHI3/c2-1(3)4/h1H
(3)Std. InChIKey: OKJPEAGHQZHRQV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | oral | 10gm/kg (10000mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: TREMOR | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 1, Pg. 446, 1905. |
frog | LDLo | unreported | 606mg/kg (606mg/kg) | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 1, Pg. 446, 1905. | |
guinea pig | LD50 | oral | 487mg/kg (487mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Zdravookhranenie Turkmenistana. Public Health of Turkmenistan. Vol. 27(5), Pg. 9, 1983. |
mammal (species unspecified) | LDLo | oral | 1gm/kg (1000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
mammal (species unspecified) | LDLo | subcutaneous | 1500mg/kg (1500mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
mouse | LD50 | oral | 470mg/kg (470mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(11), Pg. 74, 1987. | |
mouse | LD50 | subcutaneous | 630mg/kg (630mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ANTIPSYCHOTIC VASCULAR: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 4, Pg. 354, 1962. |
rabbit | LD50 | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Zdravookhranenie Turkmenistana. Public Health of Turkmenistan. Vol. 27(5), Pg. 9, 1983. |
rabbit | LDLo | subcutaneous | 500mg/kg (500mg/kg) | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 1, Pg. 446, 1905. | |
rat | LC50 | inhalation | 165ppm/7H (165ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Journal of Toxicology and Environmental Health. Vol. 8, Pg. 59, 1981. |
rat | LD50 | oral | 355mg/kg (355mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Zdravookhranenie Turkmenistana. Public Health of Turkmenistan. Vol. 27(5), Pg. 9, 1983. |
rat | LD50 | skin | 1184mg/kg (1184mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Zdravookhranenie Turkmenistana. Public Health of Turkmenistan. Vol. 27(5), Pg. 9, 1983. |