55512-33-9

Name Pyridat
CAS 55512-33-9
EINECS(EC#) 259-686-7
Molecular Formula C6H4NO2-
MDL Number MFCD00078718
Molecular Weight 122.1
MOL File 55512-33-9.mol
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Chemical Properties

Melting point  27°
Boiling point  bp0.1 220°
density  d20 1.555
refractive index  nD20 1.568
Fp  100 °C
storage temp.  APPROX 4°C
form  neat
pka -0.84±0.10(Predicted)
Merck  13,8058
BRN  759528
Henry's Law Constant 3.0×102 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
Major Application agriculture
environmental
InChI 1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey JTZCTMAVMHRNTR-UHFFFAOYSA-N
SMILES CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c2ccccc2
LogP 6.840 (est)
CAS DataBase Reference 55512-33-9(CAS DataBase Reference)
NIST Chemistry Reference Carbonothioic acid, o-(6-chloro-3-phenyl-4-pyridazinyl) s-octyl ester(55512-33-9)
EPA Substance Registry System Pyridate (55512-33-9)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H315-H317-H410
Precautionary statements  P261-P264-P273-P280-P301+P312-P302+P352
Hazard Codes  Xi,N
Risk Statements 
R38:Irritating to the skin.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S24:Avoid contact with skin .
S37:Wear suitable gloves .
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  FG3880000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
Skin Sens. 1
Toxicity
LD50 in male rats, female rats, mice (mg/kg): 1970, 2400, >10,000 orally; in rabbits (mg/kg): >3450 dermally; LC50 (96 hr) in carp, trout: >100, 81 mg/l (Chéroux, Moncorge)

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