(4-{[2-(Methylcarbamothioyl)hydrazino]carbonyl}phenyl)boronic acid
[CAS# 957060-78-5]

Identification

• Name: (4-{[2-(Methylcarbamothioyl)hydrazino]carbonyl}phenyl)boronic acid
• Synonyms: 1-(4-Boronobenzoyl)-4-methylthiosemicarbazide; 2-(4-Boronobenzoyl)-N-methylhydrazinecarbothioamide; 2-(4-Boronobenzoyl)-N-methylhydrazinecarbothioamide, 1-(4-Boronobenzoyl)-4-methylthiosemicarbazide
• Molecular Formula: C₉H₁₂BN₃O₃S
• Molecular Weight: 253.09
• CAS Registry Number: 957060-78-5
• SMILES: B(C1=CC=C(C=C1)C(=O)NNC(=S)NC)(O)O
• InChI: 1S/C9H12BN3O3S/c1-11-9(17)13-12-8(14)6-2-4-7(5-3-6)10(15)16/h2-5,15-16H,1H3,(H,12,14)(H2,11,13,17)
• InChIKey: CLSXNKYLPSMHPY-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 170-171°C (Expl.)
• Refractive index: 1.639 (Cal.)

Safety Data

• Safety Code: S26;S36/37;S60
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract