Benzene, 1-(chloromethyl)-4-(methylthio)-


Chemical Name: Benzene, 1-(chloromethyl)-4-(methylthio)-
CAS Number: 874-87-3
Product Number: AG003K9J(AGN-PC-0JL9HJ)
Synonyms:
MDL No:
Molecular Formula: C8H9ClS
Molecular Weight: 172.6751

Identification/Properties


Properties
BP:
262.3°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.67g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
172.011g/mol
Monoisotopic Mass:
172.011g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
87.3
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:
Danger
UN#:
1760
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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