Chloralose

C₈H₁₁Cl₃O₆CAS 15879-93-3309.52 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkyl halide Ether

Properties

Molecular formula: C₈H₁₁Cl₃O₆
Molar mass: 309.52 g/mol
Exact mass: 307.9621 Da
Melting point: 182–184 °C
logP: -0.46Crippen estimate
Polar surface area: 88.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
Stereocentres: R, R, R, R, R, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H332 Harmful if inhaledAcute toxicity, inhalation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P264, P270, P271, P273, P301+P316, P304+P340, P317, P319, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

15879-93-3

SMILES

OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O

InChIKey

OJYGBLRPYBAHRT-IPQSZEQASA-N

InChI

InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all

α-D-Glucofuranose, 1,2-O-[(1R)-2,2,2-trichloroethylidene]-
Chloralose, α-
α-D-Glucofuranose, 1,2-O-(2,2,2-trichloroethylidene)-, (R)-
Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
1,2-O-[(1R)-2,2,2-Trichloroethylidene]-α-D-glucofuranose
Anhydroglucochloral
α-Chloralose
Somio
AGC
α-Monotrichloroethylidene-D-glucose
Aphosal
Chloralosane
Dulcidor
Glucochloral
Kalmettumsomniferum
Murex (carbohydrate)
α-D-Chloralose
Alfa 4
Alpha 4
Murex
Glucochloralose
Alphakil
Dorcalm
AGC (carbohydrate)
α-Glucochloralose

Work with Chloralose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lactitol585-86-453 % similar Maltitol585-88-653 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-150 % similar Lactitol monohydrate81025-04-949 % similar 1,2-O-Cyclohexylidene-alpha-D-glucofuranose16832-21-648 % similar Cellobiose528-50-741 % similar Lactose63-42-341 % similar Maltose69-79-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia