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Sigma-Aldrich

Pentafluorophenyl isothiocyanate

≥97.0% (GC)

Synonym(s):

1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene

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About This Item

Empirical Formula (Hill Notation):
C7F5NS
CAS Number:
35923-79-6
Molecular Weight:
225.14
Beilstein:
2736207
EC Number:
252-791-9
MDL number:
MFCD00041042
UNSPSC Code:
12352200
PubChem Substance ID:
57652656

Quality Level

100

Assay

≥97.0% (GC)

form

liquid

refractive index

n20/D 1.540

bp

38-39 °C/0.2 mmHg (lit.)

density

1.594 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

Fc1c(F)c(F)c(N=C=S)c(F)c1F

InChI

1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

InChI key

NGNKMRBGZPDABE-UHFFFAOYSA-N

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Pictograms

Exclamation markHealth hazard
GHS07,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Katharina Goempel et al.
Archives of toxicology, 91(11), 3551-3560 (2017-05-24)
The aim of the present study was to explore the relation of controlled dietary acrylamide (AA) intake with the excretion of AA-related urinary mercapturic acids (MA), N-acetyl-S-(carbamoylethyl)-L-cysteine (AAMA) and N-acetyl-S-(1-carbamoyl-2-hydroxyethyl)-L-cysteine (GAMA). Excretion kinetics of these short-term exposure biomarkers were monitored
J A Barden et al.
Biochemistry, 29(5), 1348-1354 (1990-02-06)
Actin was labeled with pentafluorophenyl isothiocyanate at Lys-61. The label was sufficiently small not to affect the rate or extent of actin polymerization unlike the much larger fluorescein 5-isothiocyanate which completely inhibits actin polymerization [Burtnick, L. D. (1984) Biochim. Biophys.
Min Yang et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1086, 197-205 (2018-04-24)
Ethylene oxide (EO), acrylamide (AA) and glycidamide (GA) exposures are associated with mammary tumors in animals. Currently available information about human exposure to these chemicals is limited creating the need for analytical methods to assess their exposure. We developed a
Per Rydberg et al.
Chemical research in toxicology, 15(4), 570-581 (2002-04-16)
Adducts to N-terminal valine residues in hemoglobin (Hb) are used for monitoring in vivo doses of electrophiles and are quantitated by means of a modified Edman procedure, the "N-alkyl Edman procedure". In the reaction with pentafluorophenyl isothiocyanate, N-alkylated valines cyclize
Yu Zhang et al.
Talanta, 178, 825-833 (2017-11-16)
Hemoglobin (Hb) adducts of acrylamide (AA) and its oxidative metabolite glycidamide (GA) are important biomarkers for evaluating the mid-term exposure of acrylamide toxicity in vivo. Taking pentafluoro-2-methylphenyl isothiocyanates of N-(2-carbamoylethyl)valine (AAVal-PFPTH) and N-(2-carbamoyl-2-hydroxyethy)valine (GAVal-PFPTH) as target analytes, we developed an
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