{4-[(2-Carbamothioylhydrazino)carbonyl]phenyl}boronic acid
[CAS# 957060-76-3]

Identification

• Name: {4-[(2-Carbamothioylhydrazino)carbonyl]phenyl}boronic acid
• Synonyms: [4-[(Carbamothioylamino)carbamoyl]phenyl]boronic acid; 1-(4-Boronobenzoyl)thiosemicarbazide; 2-(4-Boronobenzoyl)hydrazinecarbothioamide
• Molecular Formula: C₈H₁₀BN₃O₃S
• Molecular Weight: 239.06
• CAS Registry Number: 957060-76-3
• SMILES: B(C1=CC=C(C=C1)C(=O)NNC(=S)N)(O)O
• InChI: 1S/C8H10BN3O3S/c10-8(16)12-11-7(13)5-1-3-6(4-2-5)9(14)15/h1-4,14-15H,(H,11,13)(H3,10,12,16)
• InChIKey: NVXNXTLWXKMYHB-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 183-184°C (Expl.)
• Refractive index: 1.676 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: Irritant