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Merck
CN

270202

4-Bromophenyl isothiocyanate

97%

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About This Item

Linear Formula:
BrC6H4NCS
CAS Number:
Molecular Weight:
214.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
878549
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Product Name

4-Bromophenyl isothiocyanate, 97%

InChI

1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

SMILES string

Brc1ccc(cc1)N=C=S

InChI key

XQACWEBGSZBLRG-UHFFFAOYSA-N

assay

97%

form

solid

mp

56-58 °C (lit.)

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Application

4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.

pictograms

Health hazardExclamation mark

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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1-Aryl(glycofurano)imidazolidine-2-thiones derived from new 2-(alkylamino)-2-deoxyheptoses having d-glycero- d-galacto and d-glycero-d-talo configurations.
Galbis Perez JA, et al.
Carbohydrate Research, 131(1), 71-82 (1984)
A Ziegelhöffer et al.
General physiology and biophysics, 2(6), 447-456 (1983-12-01)
Isothiocyanates are potent modifiers of thiol groups, and they have been successfully applied in studying the active site structure of renal (Na+ + K+)-ATPase. However, very little has been known on interactions of isothiocyanates with myocardial sarcolemmal ATPases. In the
J Knopp et al.
Acta endocrinologica, 98(1), 68-72 (1981-09-01)
Liver nuclei bind thyroid hormones (T3 and T4) with different binding affinities. In out studies it was estimated that the apparent association constant (Ka) in the liver nuclei for T3 was 8.8 X 10(10) l mol-1 and for T4 was

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