CAS No.67-66-3,Chloroform Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	67-66-3
Name:	Chloroform
Article Data:	654
Cas Database

Formula:	CHCl₃
Molecular Weight:	119.378
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;
EINECS:	200-663-8
Density:	1.5 g/cm³
Melting Point:	-63 °C
Boiling Point:	61.2 °C at 760 mmHg
Flash Point:	60.5-61.5°C
Solubility:	8 g/L (20 °C) in water
Appearance:	Colorless liquid
Hazard Symbols:	Xn, F, T
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
Safety:	9-16-26-36-36/37-45-36/37/39-25-23-53-33-7
Transport Information:	UN 1888 6.1/PG 3
PSA:	0.00000
LogP:	1.98640

Synthetic route

: 75-62-7
Bromotrichloromethane

: 110838-39-6
N,N,N',N'-Tetraisopropyl-P-methylphosphonous diamide

A: 67-66-3
chloroform

B: 124862-13-1
P-(bromomethyl)-N,N,N',N'-tetraisopropylphosphonous diamide

Conditions

Conditions	Yield
In diethyl ether for 0.25h; Ambient temperature;	A 100% B 45%
In diethyl ether for 0.25h; Ambient temperature; or P-ethyl-N,N,N',N'-tetraisopropylphosphonous diamide;	A n/a B 45%

...Expand

: 75-62-7
Bromotrichloromethane

: 122691-44-5
P-ethyl-N,N,N',N'-tetraisopropylphosphonous diamide

A: 67-66-3
chloroform

B: 124862-16-4
P-(1-bromoethyl)-N,N,N',N'-tetraisopropylphosphonous diamide

Conditions

Conditions	Yield
In diethyl ether for 0.25h; Ambient temperature;	A 100% B 45%

...Expand

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 75-31-0
isopropylamine

A: 67-66-3
chloroform

B: 23144-67-4
N-Isopropyl-2,2,2-trichloroacetamide

Conditions

Conditions	Yield
In hexane	A n/a B 100%

...Expand

: 1768-31-6
pentachloroacetone

: 75-31-0
isopropylamine

A: 67-66-3
chloroform

B: 39063-24-6
N-Isopropyl-2,2-dichloroacetamide

Conditions

Conditions	Yield
In hexane for 0.5h;	A n/a B 100%

...Expand

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 109-73-9
N-butylamine

A: 67-66-3
chloroform

B: 31464-96-7
trichloro-acetic acid butylamide

Conditions

Conditions	Yield
In hexane	A n/a B 100%

...Expand

: 1768-31-6
pentachloroacetone

: 74-89-5
methylamine

A: 67-66-3
chloroform

B: 5345-73-3
2,2-dichloro-N-methylacetamide

Conditions

Conditions	Yield
In hexane Heating;	A n/a B 100%

...Expand

: 64697-39-8
1,1,1,3,3-pentachlorobutanone

: 74-89-5
methylamine

A: 67-66-3
chloroform

B: 83703-95-1
2,2-Dichloro-N-methyl-propionamide

Conditions

Conditions	Yield
In hexane Heating;	A n/a B 100%

...Expand

: tris(cyclopentadienyl)zirconiumhydride

A: (π-C5H5)3ZrCl

B: 67-66-3
chloroform

Conditions

Conditions	Yield
With tetrachloromethane In toluene under Ar; excess of CCl4 added to suspension of Cp3ZrH in PhMe; stirredat about 20°C for 5 h; stored overnight at 0-5°C; sepd. by pressure; dried in an Ar stream; elem. anal.;	A 99% B 89%

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 76-37-9
2,2,3,3-tetrafluoropropanol

A: 67-66-3
chloroform

B: 1422-70-4
bis(2,2,3,3-tetrafluoropropyl) carbonate

Conditions

Conditions	Yield
With potassium fluoride; zirconium(IV) oxide at 140℃; for 10h; Product distribution / selectivity; pressure tight reactor;	A 99% B 99%

...Expand

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 75-89-8
2,2,2-trifluoroethanol

A: 67-66-3
chloroform

B: 1513-87-7
bis(2,2,2-trifluoroethyl) carbonate

Conditions

Conditions	Yield
With potassium fluoride; zirconium(IV) oxide at 140℃; for 10h; pressure tight reactor;	A 99% B 99%

...Expand

Raw Materials

66415-55-2

281-23-2

123-31-9

463-82-1

75-31-0

111-27-3

111-70-6

Downstream Products

490-64-2

75-65-0

39539-66-7

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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.

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.