4-Isothiocyanato-2-(3-oxo-6-hydroxy-3H-xanthene-9-yl)benzoic acid

Base Information

• Chemical Name: 4-Isothiocyanato-2-(3-oxo-6-hydroxy-3H-xanthene-9-yl)benzoic acid
• CAS No.: 3012-71-3
• Molecular Formula: C21H11NO5S
• Molecular Weight: 389.38
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID401014888
• Nikkaji Number: J2.862.269D
• Mol file: 3012-71-3.mol

Synonyms:DTXSID401014888;J-019115;2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid;4-Isothiocyanato-2-(3-oxo-6-hydroxy-3H-xanthene-9-yl)benzoic acid

Chemical Property of 4-Isothiocyanato-2-(3-oxo-6-hydroxy-3H-xanthene-9-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 2.28E-21mmHg at 25°C
• Boiling Point: 719.1°C at 760 mmHg
• Flash Point: 388.7°C
• PSA: 132.19000
• Density: 1.54g/cm³
• LogP: 4.70290
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 389.03579362
• Heavy Atom Count: 28
• Complexity: 838

Purity/Quality:

99% ^*data from raw suppliers

2-(3-HYDROXY-6-OXO-XANTHEN-9-YL)-4-ISOTHIOCYANATO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36-42/43
• Safety Statements: 26-45-36/37-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=C=S)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O
• Uses: 6-FITC is a fluorescent labeling reagent for proteins,it is Used in the fluorescent antibody technique for rapid identification of pathogens.