Thionicotinamide , >98.0%(HPLC) , 4621-66-3

CAS NO.：4621-66-3

Empirical Formula: C6H6N2S

Molecular Weight: 138.19

MDL number: MFCD00006399

EINECS: 225-036-6

PRODUCT Properties

• Melting point: 185-190 °C
• Boiling point: 278.9±32.0 °C(Predicted)
• Density: 1.235 (estimate)
• refractive index: 1.5300 (estimate)
• Flash point: 160 °C
• storage temp.: Inert atmosphere,Room Temperature
• form: Powder
• pka: 12.01±0.29(Predicted)
• color: Yellow to yellow-green
• BRN: 109593
• InChI: InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
• InChIKey: XQWBMZWDJAZPPX-UHFFFAOYSA-N
• SMILES: C1=NC=CC=C1C(N)=S
• LogP: 0.670

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
• Hazard Codes: Xn
• Risk Statements: 22-36/37/38
• Safety Statements: 24/25-36-26
• RTECS: QS4488000
• TSCA: Yes
• HazardClass: IRRITANT
• HS Code: 29333990