Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- - CAS 7635-54-3

Carbonochloridic acid,5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)- is a chiral resolution reagent to separate racemic compounds into different mirror isomers and is an important tool for the production of optically active drugs.

Product Information

Canonical SMILES
O=C(Cl)O[C@@H]1[C@@H](C(C)C)CC[C@H](C)C1
InChI
InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChI Key
KIUPCUCGVCGPPA-AEJSXWLSSA-N
Purity
>97.0%(T)
MDL
MFCD00134483
Physical State
Liquid
Appearance
Colorless to light yellow liqui
Storage
Sealed in dry. Keep cold.
Boiling Point
108-109 ℃ / 11 mmHg
Melting Point
12.62 ℃(Predicted)
Flash Point
70 °C(158.0 °F)
Density
1.031 g/mL at 25 °C(lit.)
Optical Activity
+83°( c = 1 in chloroform)
Solubility
Soluble in water (reacts), and most organic solvents.
Refractive Index
1.46
Hazard Class
6.1 / 8
WGK Germany
3
Packing Groups
II

Safety Information

Signal Word
Danger
Precautionary Statement
P261 - P280 - P305 - P351 - P338 - P310
Hazard Statements
H314 - H331
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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