CAS 1205-06-7

Benzoic acid, 4-isothiocyanato-, ethyl ester

Description:

Benzoic acid, 4-isothiocyanato-, ethyl ester, with the CAS number 1205-06-7, is an organic compound characterized by the presence of both a benzoic acid moiety and an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and environmental conditions. It is known for its moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic aromatic structure. The isothiocyanate group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the preparation of various biologically active compounds. Additionally, this compound may exhibit biological activity, including potential antimicrobial or anticancer properties, which are of interest in pharmaceutical research. Safety considerations should be taken into account, as isothiocyanates can be irritants and may pose health risks upon exposure. Proper handling and storage in a controlled environment are essential to ensure safety and stability.

Formula: C₁₀H₉NO₂S

InChI: InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3

InChI key: InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(N=C=S)C=C1

Synonyms:

• 4-(Ethoxycarbonyl)phenyl isothiocyanate
• 4-Carbethoxyphenyl isothiocyanate
• 4-Isothiocyanatobenzoic acid ethyl ester
• Benzoic acid, 4-isothiocyanato-, ethyl ester
• Benzoic acid, p-isothiocyanato-, ethyl ester
• Ethyl 4-isothiocyanatobenzoate
• NSC 294821
• p-Carbethoxyphenyl isothiocyanate

4-(Ethoxycarbonyl)phenyl isothiocyanate, 97%

CAS: 1205-06-7

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: C₁₀H₉NO₂S

Purity: 97%

Color and Shape: Crystalline or fused solid or crystals or powder or crystalline powder, White to cream or yellow

Molecular weight: 207.25

Ref: 02-L12522

4-Ethoxycarbonylphenyl isothiocyanate

CAS: 1205-06-7

Formula: C₁₀H₉NO₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 207.2490

Ref: IN-DA003LBC

4-Ethoxycarbonylphenyl isothiocyanate

CAS: 1205-06-7

4-Ethoxycarbonylphenyl isothiocyanate

Formula: C₁₀H₉NO₂S

Purity: 95%

Color and Shape: white fused solid

Molecular weight: 207.25g/mol

Ref: 54-OR6538

4-Ethoxycarbonylphenyl isothiocyanate

CAS: 1205-06-7

Formula: C₁₀H₉NO₂S

Purity: 97.0%

Color and Shape: Solid

Molecular weight: 207.25

Ref: 10-F008940