CAS No.75-47-8,Iodoform Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75-47-8
Name:	Iodoform
Article Data:	159

Formula:	CHI₃
Molecular Weight:	393.732
Synonyms:	Carbontriiodide;Dezinfekt V;NSC 26251;Triiodomethane;
EINECS:	200-874-5
Density:	3.864g/cm³
Melting Point:	119-122 °C
Boiling Point:	250.668 °C at 760 mmHg
Flash Point:	128.988 °C
Solubility:	insoluble in water, soluble in benzene,diethyl ether and acetone
Appearance:	yellow solid with a characteristic pungent and
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39-22
Transport Information:	UN 1851
PSA:	0.00000
LogP:	2.57500

Synthetic route

: 109-73-9
N-butylamine

: 98-86-2
acetophenone

A: 75-47-8
iodoform

B: 2782-40-3
N-butylbenzamide

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; iodine In water; Petroleum ether at 0℃; for 12h; Reagent/catalyst; Solvent;	A 30% B 85%

...Expand

: 141-79-7
4-methyl-pent-3-en-2-one

: 75-47-8
iodoform

Conditions

Conditions	Yield
With iodonitrogen

: 64-17-5
ethanol

: 507-25-5
carbon tetraiodide

: 75-47-8
iodoform

Conditions

Conditions	Yield
at 100℃;

: 64-17-5
ethanol

: 75-47-8
iodoform

Conditions

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;

: 67-66-3
chloroform

: 75-47-8
iodoform

Conditions

Conditions	Yield
With calcium iodide at 100℃;

: 1493-01-2
fluorodiiodomethane

: 75-47-8
iodoform

Conditions

Conditions	Yield
beim Belichtung;

: 507-25-5
carbon tetraiodide

: 141-52-6
sodium ethanolate

: 75-47-8
iodoform

: 507-25-5
carbon tetraiodide

: 151-50-8
potassium cyanide

: 75-47-8
iodoform

: 507-25-5
carbon tetraiodide

: 75-47-8
iodoform

Conditions

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

: 98142-61-1
3-iodo-2,4-pentanedione

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 75-47-8
iodoform

B: 64-19-7
acetic acid

C: 67-64-1
acetone

...Expand

Raw Materials

5417-20-9

109-92-2

76031-43-1

767-00-0

105-53-3

106-48-9

Downstream Products

594-04-7

636-82-8

676-80-2

4396-19-4

57918-63-5

101-61-1

Total:88 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

NCI Carcinogenesis Bioassay (gavage); No Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-110 ,1978. . Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.6 ppm (skin)
ACGIH TLV: TWA 0.6 ppm

Specification

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%.

Iodoform can be used to produce 1,1-diiodo-octan-2-ol at the temperature of 0 °C

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.