23100

Chloral hydrate

crystallized, ≥98.0% (T)

• Synonym(s): Trichloroacetaldehyde hydrate
• Linear Formula: Cl₃CCH(OH)₂
• CAS Number: 302-17-0
• Molecular Weight: 165.40
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 57648021
• EC Number: 206-117-5
• Beilstein/REAXYS Number: 1698497
• MDL number: MFCD00044479
• Assay: ≥98.0% (T)
• Form: solid

Properties

• Quality Segment: 100
• assay: ≥98.0% (T)
• form: solid
• quality: crystallized
• mp: 57 °C (lit.)
• functional group: chloro, hydroxyl
• SMILES string: OC(O)C(Cl)(Cl)Cl
• InChI: 1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
• InChI key: RNFNDJAIBTYOQL-UHFFFAOYSA-N

Description

Application

Chloral hydrate is a geminal diol and is used as a precursor and laboratory chemical reagent. It is utilized to synthesize isatins by condensing primary arylamine and chloral hydrate in the presence of hydroxylamine and sodium sulfate.

Chloral hydrate can be used as:

• A reactant in the asymmetric synthesis of β-trichloromethyl-β-hydroxyketones by reacting with chiral imines.
• A water carrier for the efficient deprotectionof acetals, dithioacetals, and tetrahydropyranyl ethers in organic solvents.
• A reactant to synthesize 2-(hydroxyimino)-N-(2-iodophenyl)acetamide using 2-iodoaniline in the presence of hydrochloric acid, sodium sulfate, and hydroxyamine hydrochloride.

Other Notes

Sales restrictions may apply

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H315,H319
• pcodes: P264 - P280 - P301 + P310 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges