1,1,1-Trichloro-2-methyl-2-propanol hemihydrate


Chemical Name: 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
CAS Number: 57-15-8
Product Number: AG00ILNR(AGN-PC-0WA40L)
Synonyms:
MDL No:
Molecular Formula: C4H9ClO
Molecular Weight: 108.567

Identification/Properties


Properties
MP:
~78 °C
BP:
173°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
177.449g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
175.956g/mol
Monoisotopic Mass:
175.956g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
83.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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