Benzene, 1-fluoro-4-(isothiocyanatomethyl)-


Chemical Name: Benzene, 1-fluoro-4-(isothiocyanatomethyl)-
CAS Number: 2740-88-7
Product Number: AG003LF9(AGN-PC-0JLPPE)
Synonyms:
MDL No:
Molecular Formula: C8H6FNS
Molecular Weight: 167.2033

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
167.201g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
167.02g/mol
Monoisotopic Mass:
167.02g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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#:
2922
Hazard Statements:
H302-H312-H314-H315-H319-H332-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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