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Coumatetralyl Structure

Coumatetralyl

Chemical Properties

Melting point 172-176 °C
Boiling point 374.26°C (rough estimate)
Density  1.2251 (rough estimate)
refractive index  1.4200 (estimate)
Flash point 100 °C
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
pka 4.50±1.00(Predicted)
Henry's Law Constant 1.7×108 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI 1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2
InChIKey ULSLJYXHZDTLQK-UHFFFAOYSA-N
SMILES OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14
CAS DataBase Reference 5836-29-3(CAS DataBase Reference)
NIST Chemistry Reference 2H-1-benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-(5836-29-3)
EPA Substance Registry System Coumatetralyl (5836-29-3)

Safety Information

Hazard Codes  T+
Risk Statements  27/28-48/24/25-52/53
Safety Statements  28-36/37-45-61
RIDADR  3027
WGK Germany  3
RTECS  GN7630000
HazardClass  6.1(a)
PackingGroup  II
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Acute Tox. 3 Dermal
Aquatic Chronic 1
Repr. 1B
STOT RE 1
Hazardous Substances Data 5836-29-3(Hazardous Substances Data)

Usage And Synthesis

Preparation Products And Raw materials