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Chloroform

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Chloroform

EINECS 200-663-8
CAS No. 67-66-3 Density 1.5 g/cm3
Solubility 8 g/L (20 °C) in water Melting Point -63 °C
Formula CHCl3 Boiling Point 61.2 °C at 760 mmHg
Molecular Weight 119.38 Flash Point 60.5-61.5°C
Transport Information UN 1888 6.1/PG 3 Appearance Colorless liquid
Safety 9-16-26-36-36/37-45-36/37/39-25-23-53-33-7 Risk Codes 45-46-11-23/24/25-36/37/38-48/20/22-40-38-22-67-66-36/38-41-37/38-39/23/24/25
Molecular Structure Molecular Structure of 67-66-3 (Chloroform) Hazard Symbols HarmfulXn, FlammableF, ToxicT
Synonyms

Methyl trichloride;Freon 20;R 20 (refrigerant);Trichloormethaan;Methane trichloride;Cloroformio;Chloroforme;Triclorometano;NCI-C02686;Methenyl trichloride;Methane, trichloro-;Trichlormethan;Trichloroform;Trichloromethane;Methane,trichloro-;Formyl trichloride;Industrial Chloroform;Chloroform, Reagent;Chloroform, Spectrophotometric Grade;

 

Chloroform History

  Chloroform (CAS NO.67-66-3) was discovered in July, 1831 by the American physician Samuel Guthrie,and independently a few months later by the French chemist Eugène Soubeiran and Justus von Liebig in Germany, all of them using variations of the haloform reaction. Soubeiran produced it through the action of chlorine bleach powder on acetone as well as ethanol. It was named and chemically characterised in 1834 by Jean-Baptiste Dumas.
 

Chloroform Specification

The Chloroform has the cas register number 67-66-3. This is a kind of colorless liquid, with high refractive index and special sweet odour. Besides it is complete soluble in ethanol, ethyl ether, benzene, petroleum ether, carbon tetrachloride, carbon disulfide and essential oil while slightly soluble in water. 
 
Following are the product information of this chemical: Its product categories are various, including refrigerants; organics; analytical chemistry; solvents for hplc & spectrophotometry; solvents for spectrophotometry; hplc solvents; standard solution of volatile organic compounds for water & soil analysis; standard solutions (voc); method 601cosmetics; 600 series wastewater methods; allergens; alpha sort; chpesticides; fumigantsepa; insecticides; other additives; volatiles/ semivolatiles; auxiliary reagents&products for kf titrationkarl fischer titration reagents (hydranal); karl fischer reagents by application.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.7; (5)ACD/BCF (pH 7.4): 12.7; (6)ACD/KOC (pH 5.5): 214.66; (7)ACD/KOC (pH 7.4): 214.66; (8)Index of Refraction: 1.445; (9)Molar Refractivity: 21.18 cm3; (10)Molar Volume: 79.5 cm3; (11)Polarizability: 8.39×10-24 cm3; (12)Surface Tension: 28.9 dyne/cm; (13)Density: 1.5 g/cm3; (14)Flash Point: °C; (15)Enthalpy of Vaporization: 29.24 kJ/mol; (16)Boiling Point: 61.2 °C at 760 mmHg; (17)Vapour Pressure: 200 mmHg at 25°C; (18)Exact Mass: 117.914383; (19)MonoIsotopic Mass: 117.914383; (20)Heavy Atom Count: 4; (21)Complexity: 8.

Production method of Chloroform  is as below: allylamine could react with 1,1,1,3,3-pentachloro-butan-2-one to produce N-allyl-2,2-dichloro-propionamide and Chloroform, with the following condition: solvent: hexane; reaction time: 30 min; yield: 93.5%.

Use of Chloroform: Chloroform reacts with 1,1-diacetoxy-butane to produce 1,1,1-trichloro-pentan-2-ol, with the following condition: reagent: aq. NaOH; catalytic agent: benzyltriethyammonium chloride ; reaction time: 6 hours; reaction tem.: 40 - 45 ℃; yield: 61%.

As to its usage, it is widely applied in many ways. It could be used in producing Freon22, solvent and anesthetic in pharmaceutics, solvent of rubber, resin, and lipidic; It could be used in organic synthesis material, and also as solvent and extractant; in antibiotic, spice, resin, and so on; It could mix with carbon tetrachloride to produce ice-free fireproofing liquid and also in gun propellant of smolke agent, fumigant of frumentaceous, and standard liquid of base measuring temperature.

While dealing with this chemical, you should be very cautious. For one thing, this chemical is irritant to eyes, respiratory system and skin; For another thing, it is harmful to our health. It could have danger of serious damage to health by prolonged exposure through inhalation and if swallowed, and repeated exposure may cause skin dryness or cracking. Then, it is toxic and it has the  danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed; It may cause cancer and heritable genetic damage. Lastly, it is highly flammable: It may catch fire in contact with air, only needing brief contact with an ignition source; It has a very low flash point or evolve highly flammable gases in contact with water; Vapours may cause drowsiness and dizziness 

Therefore, you should take the following instructions. Firstly, wear suitable protective clothing, gloves and eye/face protection and keep away from sources of ignition - No smoking. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Secondly, be carful while keeping. Keep container tightly closed and in a well-ventilated place. Thirdly, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer), and avoid exposure - obtain special instructions before use; Besides. take precautionary measures against static discharges.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:ClC(Cl)Cl
(2)InChI:InChI=1/CHCl3/c2-1(3)4/h1H
(3)InChIKey:HEDRZPFGACZZDS-UHFFFAOYAG

Below are the toxicity informatin of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 35gm/m3/4H (35000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Archiv fuer Hygiene und Bakteriologie. Vol. 116, Pg. 131, 1936.
dog LCLo inhalation 100gm/m3 (100000mg/m3)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 230, 1966.
dog LD50 intraperitoneal 1gm/kg (1000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED Toxicology and Applied Pharmacology. Vol. 10, Pg. 119, 1967.
 
dog LDLo intravenous 75mg/kg (75mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934.
dog LDLo oral 1gm/kg (1000mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934.
frog LCLo inhalation 6gm/m3 (6000mg/m3)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 97, Pg. 86, 1923.
guinea pig LCLo inhalation 20000ppm/2H (20000ppm)   Fluorine Chemistry Reviews. Vol. 1, Pg. 197, 1967.
guinea pig LD50 oral 820mg/kg (820mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(3), Pg. 10, 1983.
human LCLo inhalation 25000ppm/5M (25000ppm)   Tabulae Biologicae. Vol. 3, Pg. 231, 1933.
human TCLo inhalation 10mg/m3/1Y (10mg/m3) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: OTHER CHANGES
Internationales Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 24, Pg. 127, 1967.
human TCLo inhalation 5000mg/m3/7M (5000mg/m3) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" Archiv fuer Hygiene und Bakteriologie. Vol. 116, Pg. 131, 1936.
mammal (species unspecified) LCLo inhalation 25000ppm/5M (25000ppm)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 138, Pg. 65, 1928.
man LDLo oral 2514mg/kg (2514mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

CARDIAC: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
American Journal of Emergency Medicine. Vol. 6, Pg. 507, 1988.
man LDLo unreported 546mg/kg (546mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LCLo inhalation 23gm/m3/56M (23000mg/m3) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Biochemische Zeitschrift. Vol. 115, Pg. 235, 1921.
mouse LD50 intraperitoneal 623mg/kg (623mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 18, Pg. 109, 1960.
 
mouse LD50 oral 36mg/kg (36mg/kg)   Archives of Toxicology, Supplement. Vol. 2, Pg. 371, 1979.
 
mouse LD50 subcutaneous 704mg/kg (704mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 224, 1958.
 
rabbit LCLo inhalation 59gm/m3 (59000mg/m3)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 230, 1966.
rabbit LD50 skin > 20gm/kg (20000mg/kg)   National Technical Information Service. Vol. AD-A062-138,
rabbit LDLo oral 500mg/kg (500mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 97, Pg. 86, 1923.
rabbit LDLo subcutaneous 800mg/kg (800mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934.
rat LC50 inhalation 47702mg/m3/4H (47702mg/m3)   Environmental Research. Vol. 40, Pg. 411, 1986.
 
rat LD50 intraperitoneal 894mg/kg (894mg/kg)   Environmental Research. Vol. 40, Pg. 411, 1986.
 
rat LD50 oral 695mg/kg (695mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Khigiena i Zdraveopazvane. Hygiene and Sanitation. Vol. 29(5), Pg. 39, 1986.

 

 

 

 

 

 

 

 

 

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