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BENFURACARB Structure

BENFURACARB

Chemical Properties

Melting point <25℃
Boiling point 110℃ (0.023mmHg)
Density  1.172
vapor pressure  2.7 x 10-5 Pa (20 °C)
refractive index  1.6510 (estimate)
Flash point 100 °C
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO, Ethyl Acetate (Slightly), Methanol (Slightly)
Water Solubility  8 mg l-1 (20 °C)
pka 2.05±0.70(Predicted)
Specific Gravity 1.142 (20℃)
Merck  13,1039
Henry's Law Constant 4.9×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI 1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
InChIKey FYZBOYWSHKHDMT-UHFFFAOYSA-N
SMILES CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C
LogP 4.300
EPA Substance Registry System Benfuracarb (82560-54-1)

Safety Information

Hazard Codes  T,N
Risk Statements  23/25-50/53-62-23-22
Safety Statements  36/37-45-60-61
RIDADR  2992
WGK Germany  3
RTECS  AY5088000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29329990
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Toxicity LD50 in male rats, mice, dogs (mg/kg): 138, 175, 300 orally (Goto)

Usage And Synthesis

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