Chloroform

Base Information

• Chemical Name: Chloroform
• CAS No.: 67-66-3
• Deprecated CAS: 8013-54-5
• Molecular Formula: CHCl3
• Molecular Weight: 119.378
• Hs Code.: 2903.13 oral rat LD50: 910 mg/kg
• European Community (EC) Number: 200-663-8
• ICSC Number: 0027
• NSC Number: 77361
• UN Number: 1888
• UNII: 7V31YC746X
• DSSTox Substance ID: DTXSID1020306
• Nikkaji Number: J2.366C
• Wikipedia: Chloroform
• Wikidata: Q172275,Q82932548
• NCI Thesaurus Code: C29815
• RXCUI: 1362698
• Metabolomics Workbench ID: 43927
• ChEMBL ID: CHEMBL44618
• Mol file: 67-66-3.mol

Synonyms:Chloroform;Trichloromethane

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Chemical Property of Chloroform

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 213.3 hPa at 20°C
• Melting Point: -63 °C
• Refractive Index: 1.4460
• Boiling Point: 61.2 °C at 760 mmHg
• Flash Point: 60.5-61.5°C
• PSA: 0.00000
• Density: 1.5 g/cm³
• LogP: 1.98640
• Water Solubility.: 8 g/L (20℃)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 117.914383
• Heavy Atom Count: 4
• Complexity: 8
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): Xn, F, T
• Hazard Codes: Xn:Harmful
• Statements: R22:; R38:; R40:; R48/20/22:
• Safety Statements: S36/37:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: C(Cl)(Cl)Cl
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes. The substance may cause effects on the central nervous system, liver and kidneys. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the liver and kidneys. This substance is possibly carcinogenic to humans.
• Use Description: Chloroform, also known as trichloromethane, has been used in various fields for different purposes. In the field of chemistry, it is commonly used as a solvent for various reactions and extractions due to its ability to dissolve a wide range of organic compounds. In the pharmaceutical industry, chloroform has historically been used as an anesthetic, although its use in this capacity has significantly declined due to safety concerns. In the field of forensic science, chloroform has been associated with its historical use as a sedative or for criminal purposes like poisoning, making it a subject of toxicological analysis in criminal investigations. Additionally, it has been used in molecular biology as a phase separation reagent in DNA and RNA extraction procedures. While its applications have evolved and some uses have diminished over time, chloroform remains relevant in specific scientific and industrial contexts.

Technology Process of Chloroform

There total 796 articles about Chloroform which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) + 2,2,2-trifluoroethanol (75-89-8) → chloroform (67-66-3,8013-54-5) + bis(2,2,2-trifluoroethyl) carbonate (1513-87-7)

Guidance literature:

With potassium fluoride; zirconium(IV) oxide; at 140 ℃; for 10h; pressure tight reactor;

Reference yield: 75.4%

trichloromethylphosphonous dichloride (3582-11-4) + butan-1-ol (71-36-3) → dibutyl hydrogen phosphite (1809-19-4) + n-Butyl chloride (109-69-3) + chloroform (67-66-3,8013-54-5)

Guidance literature:

Reference yield: 71.0%

ethanol (64-17-5) + pentachloro-2-(trimethylsiloxy)propene (87651-34-1) → chloroform (67-66-3,8013-54-5) + ethyl trimethylsilyl ether (1825-62-3) + ethyl 1,1-dichloroacetate (535-15-9)

Guidance literature:

With triethylamine; for 8h; Yields of byproduct given; Heating;

upstream raw materials:

pyridine

2-trichloromethyl-[1,3]dioxolan-2-ol

methanol

tetrachloromethane

Downstream raw materials:

methyl 3,6-anhydro-β-D-glucopyranoside

methyl-(2,3-anhydro-β-D-allopyranoside)

methyl-(3,4-anhydro-β-D-allopyranoside)

1,3,4,6-tetra-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranose

Refernces

• 1、 Treszcyanowicz,Bakowski. "". . . Retrieved 1948.
• 2、 Seetula, Jorma A.. "Kinetics of the R + HBr ? RH + Br (R = CH2Br, CHBrCl or CCl3) equilibrium. Thermochemistry of the CH2Br and CHBrCl radicals". . p. 849 - 855. Retrieved 2003.
• 3、 Nikolaou, Anastasia D.,Lekkas, Themistokles D.,Kostopoulou, Maria N.,Golfinopoulos, Spyros K.. "Investigation of the behaviour of haloketones in water samples". . p. 907 - 912. Retrieved 2001.
• 4、 Chang, Chen-Yu,Hsieh, Yung-Hsu,Shih, I-Chen,Hsu, Shen-Sheng,Wang, Kuo-Hua. "The formation and control of disinfection by-products using chlorine dioxide". . p. 1181 - 1186. Retrieved 2000.
• 5、 Fujii, Kohyu,Rahman, Md. Mustafizur,Yuge, Osafumi. "Isoflurane enhances dechlorination of carbon tetrachloride in guinea-pig liver microsomes". . p. 249 - 253. Retrieved 1996.
• 6、 Chaidou,Georgakilas,Stalikas,Saraci,Lahaniatis. "Formation of chloroform by aqueous chlorination of organic compounds". . p. 587 - 594. Retrieved 1999.
• 7、 Gomez, Nicolas D.,D'Accurso, Violeta,Manzano, Francisco A.,Codnia, Jorge,Azcarate, M. Laura. "Determination of the rate constant of the reaction of CCl2 with HCl". . p. 382 - 388. Retrieved 2014.
• 8、 Molina, Victor M.,Gonzalez-Arjona, Domingo,Roldan, Emilio,Dominguez, Manuel. "Electrochemical reduction of tetrachloromethane. Electrolytic conversion to chloroform". . p. 279 - 292. Retrieved 2002.
• 9、 Orndorff,Jessel. "-". . p. 365. Retrieved 1888.
• 10、 Ukrainczyk,Chibwe,Pinnavaia,Boyd. "Reductive dechlorination of carbon tetrachloride in water catalyzed by mineral-supported biomimetic cobalt macrocycles". . p. 439 - 445. Retrieved 1995.