23100
Chloral hydrate
crystallized, ≥98.0% (T)
Synonym(s):
Trichloroacetaldehyde hydrate
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About This Item
Linear Formula:
Cl3CCH(OH)2
CAS Number:
Molecular Weight:
165.40
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-117-5
Beilstein/REAXYS Number:
1698497
MDL number:
Assay:
≥98.0% (T)
Form:
solid
Quality Level
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
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
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signalword
Danger
hcodes
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
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Chloral hydrate as a water carrier for the efficient deprotection of acetals, dithioacetals, and tetrahydropyranyl ethers in organic solvents
Chandrasekhar S, et al.
Synthetic Communications, 44, 1904-1913 (2014)
Jianguo Wang et al.
Journal of agricultural and food chemistry, 59(18), 9892-9900 (2011-08-16)
Acetohydroxyacid synthase (AHAS) catalyzes the first common step in the biosynthesis of the branched-chain amino acids. As a result of its metabolic importance in plants, it is a target for many commercial herbicides. Virtual screening analysis inspired the evaluation of
Kazumasa Funabiki et al.
Organic letters, 5(12), 2059-2061 (2003-06-07)
[reaction: see text] Chloral or its hydrate undergoes the carbon-carbon bond-formation reaction with various optically active imines in the absence of any additive, followed by hydrolysis, to produce the corresponding beta-trichloromethyl-beta-hydroxy ketones in good yields with high enantioselectivities. In addition