5836-29-3

Name Coumatetralyl
CAS 5836-29-3
EINECS(EC#) 227-424-0
Molecular Formula C19H16O3
MDL Number MFCD00078644
Molecular Weight 292.33
MOL File 5836-29-3.mol

Chemical Properties

Appearance Coumatetralyl is a yellowish-white, crystalline solid.
Melting point  172-176 °C
Boiling point  374.26°C (rough estimate)
density  1.2251 (rough estimate)
refractive index  1.4200 (estimate)
Fp  100 °C
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form  neat
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 5836-29-3(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H300+H330-H311-H360D-H372-H410
Precautionary statements  P201-P202-P273-P280-P302+P352+P312-P304+P340+P310
Hazard Codes  T+
Risk Statements 
R27/28:Very Toxic in contact with skin and if swallowed .
R48/24/25:Toxic: danger of serious damage to health by prolonged exposure in contact with skin and if swallowed .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
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)

Raw materials And Preparation Products

Hazard Information

Well-known Reagent Company Product Information