117-52-2

Name COUMAFURYL
CAS 117-52-2
EINECS(EC#) 204-195-5
Molecular Formula C17H14O5
MDL Number MFCD00128012
Molecular Weight 298.29
MOL File 117-52-2.mol

Chemical Properties

Appearance Coumafuryl is a colorless, white, crystalline solid or powder.
Melting point  124°
Boiling point  359.71°C (rough estimate)
density  1.2006 (rough estimate)
refractive index  1.6200 (estimate)
Fp  >212 °C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 4.50±1.00(Predicted)
color  White
Merck  13,2582
BRN  6817711
Major Application agriculture
environmental
InChI 1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChIKey JFIXKFSJCQNGEK-UHFFFAOYSA-N
SMILES CC(=O)CC(c1ccco1)C2=C(O)c3ccccc3OC2=O
EPA Substance Registry System Coumafuryl (117-52-2)

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  3027
WGK Germany  3
RTECS  GN4850000
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 Oral
Aquatic Chronic 3
STOT RE 1 Oral
Hazardous Substances Data 117-52-2(Hazardous Substances Data)
Toxicity
LDLo orl-rat: 400 mg/kg 85GYAZ -,115,71

Hazard Information