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Merck
CN

76755

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
UNSPSC Code:
12352200
NACRES:
NA.25
PubChem Substance ID:
57652656
EC Number:
252-791-9
Beilstein/REAXYS Number:
2736207
MDL number:
MFCD00041042

Key Documents

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Product Name

Pentafluorophenyl isothiocyanate, ≥97.0% (GC)

InChI key

NGNKMRBGZPDABE-UHFFFAOYSA-N

InChI

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

SMILES string

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

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

Quality Level

100

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pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

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

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN5595
BCCH5231
BCCC8331
BCCB5886
BCBP3003V

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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.
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
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
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
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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