CAS 2799-73-7

Propane, 1-bromo-3-isothiocyanato-

Description:

Propane, 1-bromo-3-isothiocyanato- (CAS 2799-73-7) is an organic compound characterized by the presence of a bromine atom and an isothiocyanate functional group attached to a propane backbone. This compound typically exhibits a colorless to pale yellow appearance and has a distinct odor associated with isothiocyanates, which are known for their pungent smell. The presence of the isothiocyanate group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and additions. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic propane structure. The compound may be used in synthetic organic chemistry, particularly in the development of agrochemicals or pharmaceuticals. As with many halogenated compounds, it is important to handle it with care due to potential toxicity and environmental concerns. Proper safety measures should be observed when working with this substance in laboratory settings.

Formula: C₄H₆BrNS

InChI: InChI=1S/C4H6BrNS/c5-2-1-3-6-4-7/h1-3H2

InChI key: InChIKey=RIUVKCFFZBZEHS-UHFFFAOYSA-N

SMILES: C(CCBr)N=C=S

Synonyms:

• 1-Bromo-3-(isothiocyanato)propane
• 1-Bromo-3-Isothiocyanatopropane
• Isothiocyanic acid, 3-bromopropyl ester
• Propane, 1-bromo-3-isothiocyanato-
• 3-Bromopropyl isothiocyanate

3-Bromopropyl isothiocyanate

CAS: 2799-73-7

3-Bromopropyl isothiocyanate

Purity: ≥95%

Ref: 54-OR3096

3-Bromopropyl isothiocyanate

CAS: 2799-73-7

Formula: C₄H₆BrNS

Purity: 98.0%

Color and Shape: Clear

Molecular weight: 180.06

Ref: 10-F008751

3-Bromopropyl isothiocyanate

CAS: 2799-73-7

3-Bromopropyl isothiocyanate (3BPITC) is a bifunctional molecule that has been used for radiolabeling and bifunctional labeling strategies. 3BPITC can be used to label amino acids, peptides, proteins, carbohydrates, and lipids with the same specificity as biotin. 3BPITC has been shown to be an effective radiolabeling agent for imaging of tumors in mice. The stereoisomers of 3BPITC can be separated by column chromatography or thin-layer chromatography. This compound can also be detected at the low picomolar level using nuclear magnetic resonance spectroscopy (NMR).

Formula: C₄H₆BrNS

Purity: Min. 95%

Molecular weight: 180.07 g/mol

Ref: 3D-CAA79973