Benzene, 4-(chloromethyl)-1-methyl-2-nitro-


Chemical Name: Benzene, 4-(chloromethyl)-1-methyl-2-nitro-
CAS Number: 84540-59-0
Product Number: AG0036H2(AGN-PC-0JTJ7G)
Synonyms:
MDL No: MFCD00044646
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Properties
MP:
46 °C
BP:
87 °C
Storage:
2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.581(lit.)
Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
185.024g/mol
Monoisotopic Mass:
185.024g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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#:
3261
Hazard Statements:
H314-H318-H335
Precautionary Statements:
P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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