Home Other Building Blocks PENTAFLUOROPHENYL ISOTHIOCYANATE

PENTAFLUOROPHENYL ISOTHIOCYANATE

CAS No.:
35923-79-6
Catalog Number:
AG003TLK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003TLK
Chemical Name:
PENTAFLUOROPHENYL ISOTHIOCYANATE
CAS Number:
35923-79-6
MDL Number:
MFCD00041042
IUPAC Name:
1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
InChI:
InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChI Key:
NGNKMRBGZPDABE-UHFFFAOYSA-N
EC Number:
252-791-9
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.967g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.136g/mol
Monoisotopic Mass:
224.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Formaldehyde and tobacco smoke as alkylating agents: the formation of N-methylenvaline in pathologists and in plastic laminate workers. The Science of the total environment 20120101
Exposure of the U.S. population to acrylamide in the National Health and Nutrition Examination Survey 2003-2004. Environmental health perspectives 20100201
LC/MS/MS Analysis of N-Terminal Protein Adducts with Improved Sensitivity: A Comparison of Selected Edman Isothiocyanate Reagents. International journal of analytical chemistry 20090101
A sensitive gas chromatographic-tandem mass spectrometric method for detection of alkylating agents in water: application to acrylamide in drinking water, coffee and snuff. The Analyst 20030801
Ethylation and methylation of hemoglobin in smokers and non-smokers. Carcinogenesis 20021101
Applicability of a modified Edman procedure for measurement of protein adducts: mechanisms of formation and degradation of phenylthiohydantoins. Chemical research in toxicology 20020401
Determination of styrene and styrene-7,8-oxide in human blood by gas chromatography-mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications 20010605
Properties