Benzene, 1-isothiocyanato-2,4-dimethoxy-


Chemical Name: Benzene, 1-isothiocyanato-2,4-dimethoxy-
CAS Number: 33904-03-9
Product Number: AG003FTT(AGN-PC-0KK7NF)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2S
Molecular Weight: 195.2383

Identification/Properties


Properties
MP:
52-55 °C(lit.)
BP:
331°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5270 (estimate)
Computed Properties
Molecular Weight:
195.236g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
195.035g/mol
Monoisotopic Mass:
195.035g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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#:
1759
Hazard Statements:
H302+H332-H314-H335
Precautionary Statements:
P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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