78587-05-0

Name Hexythiazox
CAS 78587-05-0
EINECS(EC#) 616-638-3
Molecular Formula C17H21ClN2O2S
MDL Number MFCD00137385
Molecular Weight 352.88
MOL File 78587-05-0.mol

Chemical Properties

Melting point  108-108.5°C
Boiling point  128°C (rough estimate)
density  1.1354 (rough estimate)
refractive index  1.6100 (estimate)
Fp  100 °C
storage temp.  0-6°C
solubility  DMF: 5 mg/ml,DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml,DMSO: 2 mg/ml,Ethanol: 0.2 mg/ml
Water Solubility  Insoluble in water
form  neat
pka 12.77±0.20(Predicted)
color  White to Almost white
BRN  9001643
Henry's Law Constant 4.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/s3
InChIKey XGWIJUOSCAQSSV-ICMWTWRANA-N
SMILES S1[C@H](C2=CC=C(Cl)C=C2)[C@@H](C)N(C(NC2CCCCC2)=O)C1=O |&1:1,9,r|
CAS DataBase Reference 78587-05-0(CAS DataBase Reference)
EPA Substance Registry System 78587-05-0(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H332-H410
Precautionary statements  P261-P271-P273-P304+P340+P312-P391-P501
Hazard Codes  N
Risk Statements 
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077
WGK Germany  2
RTECS  XJ5396000
HS Code  29341000
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Hazardous Substances Data 78587-05-0(Hazardous Substances Data)

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