2-Nitro-5-thiocyanatobenzoic Acid , >97.0%(HPLC) , 30211-77-9

Synonym(s):
2-Nitro-5-thiocyanobenzoic acid;NTCB

CAS NO.：30211-77-9

Empirical Formula: C8H4N2O4S

Molecular Weight: 224.19

MDL number: MFCD00007139

EINECS: 250-093-9

PRODUCT Properties

• Melting point: 156-157 °C(lit.)
• Boiling point: 449.0±40.0 °C(Predicted)
• Density: 1.63
• refractive index: 1.5690 (estimate)
• Flash point: 225.4℃
• storage temp.: Inert atmosphere,2-8°C
• solubility: DMF: 25 mg/ml; DMSO: 11 mg/ml; Ethanol: 25 mg/ml; PBS (pH 7.2): 0.3 mg/ml
• form: powder
• pka: 1.75±0.25(Predicted)
• color: yellow
• BRN: 2124001
• InChI: InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
• InChIKey: NQUNIMFHIWQQGJ-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC(SC#N)=CC=C1[N+]([O-])=O
• EPA Substance Registry System: Benzoic acid, 2-nitro-5-thiocyanato- (30211-77-9)

Description and Uses

2-Nitro-5-thiocyanatobenzoic acid (NTCB) is a highly reactive reagent that transfers its cyano group rapidly to a nucleophilic thiolate. 2-Nitro-5-thiocyanatobenzoic acid has been proposed as a reagent for converting thiol groups in proteins into their S-cyano derivatives[1][2].

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 8-21
• HS Code: 29309090