Chloral

Base Information

• Chemical Name: Chloral
• CAS No.: 75-87-6
• Molecular Formula: C2HCl3O
• Molecular Weight: 147.388
• Hs Code.: 2913000010
• European Community (EC) Number: 200-911-5
• UN Number: 2075
• UNII: FLI06WS32H
• DSSTox Substance ID: DTXSID7024744
• Nikkaji Number: J1.469I
• Wikipedia: Chloral
• Wikidata: Q422755
• NCI Thesaurus Code: C76937
• Metabolomics Workbench ID: 52495
• ChEMBL ID: CHEMBL27551
• Mol file: 75-87-6.mol

Synonyms:chloral;trichloroacetaldehyde

Chemical Property of Chloral

Chemical Property:

• Appearance/Colour: colourless oily liquid with a pungent odour
• Vapor Pressure: 41.1mmHg at 25°C
• Melting Point: -57.5°C
• Refractive Index: n20/D 1.456
• Boiling Point: 97.8 °C at 760 mmHg
• Flash Point: 14.9 °C
• PSA: 17.07000
• Density: 1.5121 g/cm³
• LogP: 1.55550
• Water Solubility.: Soluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.909298
• Heavy Atom Count: 6
• Complexity: 54.3
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: R22:Harmful if swallowed.; R26:Very toxic by inhalation.; R36/37/38:Irritating to eyes, respiratory system and ski
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28:After contact with

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: C(=O)C(Cl)(Cl)Cl

Technology Process of Chloral

There total 122 articles about Chloral 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:

3-acridin-9-yl-1,1,1-trichloro-propan-2-ol (91025-27-3) → 9-methyl-acridine (611-64-3) + chloral (75-87-6)

Guidance literature:

beim Erhitzen;

Reference yield:

tetrachloromethane (56-23-5) + nitrogen mustard (51-75-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) + chloral (75-87-6) + N,N-bis(chloro-2-ethyl)amine (334-22-5)

Guidance literature:

Produkt 5: Methyl-<2-chlor-aethyl>-amin;

Reference yield:

tetrachloromethane (56-23-5) + bis(2-chloroethyl)(ethyl)amine (538-07-8) → Glyoxal (131543-46-9,107-22-2) + acetaldehyde (75-07-0,9002-91-9) + chloral (75-87-6) + N,N-bis(chloro-2-ethyl)amine (334-22-5)

Guidance literature:

upstream raw materials:

tetrachloromethane

formaldehyd

chloral ethyl hemiacetal

chloral hydrate

Downstream raw materials:

folinic acid

1-pyrrolidinecarboxaldehyde

4-morpholinecarboxaldehyde

N-formylperhydroazocine

Refernces

• 1、 Davies, A. G.,Symes, W. R.. "". . . Retrieved 1965.
• 2、 Griebenow, Thomas,Herges, Rainer,Lentes, Pascal,Rudtke, Jeremy. "Substituted nitrogen-bridged diazocines". supporting information. p. 1503 - 1508. Retrieved 2021/07/02.
• 3、 Deng, Jia,Wu, Guangxue,Yuan, Shoujun,Zhan, Xinmin,Wang, Wei,Hu, Zhen-Hu. "Ciprofloxacin degradation in UV/chlorine advanced oxidation process: Influencing factors, mechanisms and degradation pathways". . p. 151 - 158. Retrieved 2018/11/24.