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270202

Sigma-Aldrich

4-Bromophenyl isothiocyanate

97%

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About This Item

Linear Formula:
BrC6H4NCS
CAS Number:
1985-12-2
Molecular Weight:
214.08
Beilstein:
878549
MDL number:
MFCD00004808
UNSPSC Code:
12352100
PubChem Substance ID:
24856361
NACRES:
NA.22

Assay

97%

form

solid

mp

56-58 °C (lit.)

SMILES string

Brc1ccc(cc1)N=C=S

InChI

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

InChI key

XQACWEBGSZBLRG-UHFFFAOYSA-N

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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
GHS08,GHS07

Signal Word

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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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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