1,2-Propanediol, 3-chloro-, (2S)-


Chemical Name: 1,2-Propanediol, 3-chloro-, (2S)-
CAS Number: 60827-45-4
Product Number: AG00IARB(AGN-PC-0OD72T)
Synonyms:
MDL No: MFCD00210270
Molecular Formula: C3H7ClO2
Molecular Weight: 110.5395

Identification/Properties


Properties
BP:
213°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.480(lit.)
Computed Properties
Molecular Weight:
110.537g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
110.013g/mol
Monoisotopic Mass:
110.013g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
32
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2810
Hazard Statements:
H301-H312-H318
Precautionary Statements:
P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



(S)-( )-3-Chloro-1,2-propanediol, commonly known as (S)-Epichlorohydrin, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role in various reactions, such as the preparation of chiral building blocks and the synthesis of pharmaceutical intermediates. Its unique chirality makes it a valuable reagent in asymmetric synthesis, allowing for the creation of enantiopure compounds. In addition, (S)-Epichlorohydrin is utilized in the production of polymers, resins, and surfactants, where its functional groups contribute to the modification of properties and enhancement of performance. Its applications extend to the manufacturing of specialty chemicals and agrochemicals, highlighting its importance in the development of diverse products across industries.