Benthiavalicarbisopropyl , Analysis standard reagent , 177406-68-7

CAS NO.：177406-68-7

Empirical Formula: C18H24FN3O3S

Molecular Weight: 381.46

MDL number: MFCD08690472

PRODUCT Properties

• Melting point: 152℃
• Boiling point: 550.6±40.0 °C(Predicted)
• Density: 1.222
• storage temp.: -20°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• pka: 11.34±0.46(Predicted)
• form: Solid
• color: Off-White to Pale Beige
• Henry's Law Constant: 1.1×10² mol/(m³Pa) at 25℃, MacBean (2012)
• Major Application: agriculture; environmental
• InChI: 1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15/m1/s1
• InChIKey: USRKFGIXLGKMKU-ZRKZCGFPSA-N
• SMILES: CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
• EPA Substance Registry System: Benthiavalicarb-isopropyl (177406-68-7)

Description and Uses

Benthiavalicarb isopropyl is a fungicide. It has a moderate aqueous solubility, volatile and presents a moderate risk of leaching to groundwater. It is not expected to persist in soils but could persist in aqueous systems under some conditions. It has a low mammalian oral toxicity and may cause adverse reproduction/fertility effects. It is also an endocrine disruptor and may also be carcinogenic. Benthiavalicarb isopropyl is moderately toxic to fish, aquatic invertebrates, algae, earthworms and honeybees.

Benthiavalicarb isopropyl may be used as an analytical reference standard for the determination of benthiavalicarb isopropyl in:

• Fruits and vegitables by ultra-performance liquid chromatography coupled to quadrupole-time-of-flight-mass spectrometry (UPLC-QTOF-MS) equipped with automated detection.
• Food samples and human serum samples by QuEChERS (quick, easy, cheap, effective, rigged, and safe) extraction LC coupled to electrospray ionization-tandem mass spectrometry (ESI-MS/MS) equipped with multiple reaction monitoring (MRM) detection.
• Chinese cabbage and cucumber samples by QuEChERS extraction, primary secondary amine dispersive solid-phase extraction (PSA d-SPE) and LC-ESI-MS/MS with selected reaction monitoring (SRM) detection.

', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Safety

• Symbol(GHS): GHS08,GHS07
• Signal word: Warning
• Hazard statements: H351-H317
• Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
• PPE: Eyeshields, Gloves, type N95 (US)
• WGK Germany: WGK 2
• RTECS: FB1330000
• Storage Class: 11 - Combustible Solids
• Hazardous Substances Data: 177406-68-7(Hazardous Substances Data)