CAS 2131-59-1

3-Bromophenyl isothiocyanate

Description:

3-Bromophenyl isothiocyanate is an organic compound characterized by the presence of both a bromine atom and an isothiocyanate functional group attached to a phenyl ring. Its molecular structure features a phenyl ring substituted at the meta position with a bromine atom and an isothiocyanate group (-N=C=S). This compound is typically a yellow to brown solid and is known for its reactivity, particularly in nucleophilic substitution reactions due to the electrophilic nature of the isothiocyanate group. It is often used in organic synthesis and as a reagent in various chemical reactions, including the preparation of thioureas and other nitrogen-containing compounds. Additionally, 3-bromophenyl isothiocyanate may exhibit biological activity, making it of interest in medicinal chemistry and research. Safety precautions should be taken when handling this compound, as it can be toxic and irritant. Proper storage conditions and handling protocols are essential to ensure safety in laboratory environments.

Formula: C₇H₄BrNS

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

InChI key: InChIKey=ZMGMGHNOACSMQN-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC(Br)=CC=C1

Synonyms:

• 1-Bromo-3-Isothiocyanatobenzene
• Benzene, 1-bromo-3-isothiocyanato-
• Brn 2081173
• Isothiocyanic acid, m-bromophenyl ester
• m-Bromophenyl isothiocyanate
• 3-Bromophenyl isothiocyanate

3-Bromophenyl isothiocyanate, 97%

CAS: 2131-59-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄BrNS

Purity: 97%

Color and Shape: Clear colorless to pale yellow, Liquid

Molecular weight: 214.08

Ref: 02-L09871

3-Bromophenyl isothiocyanate

CAS: 2131-59-1

Formula: C₇H₄BrNS

Purity: 95%

Color and Shape: Liquid

Molecular weight: 214.0824

Ref: IN-DA003J4U

3-Bromophenyl isothiocyanate

CAS: 2131-59-1

3-Bromophenyl isothiocyanate

Purity: 97%

Color and Shape: Off-White Liquid

Molecular weight: 214.08g/mol

Ref: 54-OR3081

3-Bromophenyl isothiocyanate

CAS: 2131-59-1

Formula: C₇H₄BrNS

Purity: 95%(GC);RG

Color and Shape: Liquid

Molecular weight: 214.08

Ref: 10-F001374

3-Bromophenyl Isothiocyanate

CAS: 2131-59-1

3-Bromophenyl isothiocyanate (3BP) is a thiohydantoin derivative that is used for the treatment of prostate cancer. 3BP has been shown to be an effective inhibitor of MDV3100, which is an oncogene that activates prostate cancer cells and leads to tumor growth. 3BP also inhibits the translocation of other oncogenes such as c-myc and p53, which are involved in the development of prostate cancer. It has been shown to be effective against activated and resistant prostate cancer cells, as well as against prostate cancers that have undergone a translocation event.

Formula: C₇H₄BrNS

Purity: Min. 95%

Molecular weight: 214.08 g/mol

Ref: 3D-CAA13159

3-Bromophenyl Isothiocyanate

CAS: 2131-59-1

Formula: C₇H₄BrNS

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 214.08

Ref: 3B-I0524