13684-56-5

Name [3-[[(Phenylamino)carbonyl]oxy]phenyl]carbamic acid ethyl ester
CAS 13684-56-5
EINECS(EC#) 237-198-5
Molecular Formula C16H16N2O4
MDL Number MFCD00055462
Molecular Weight 300.31
MOL File 13684-56-5.mol

Chemical Properties

Appearance Colorless, crystalline solid.
Melting point  120 °C
Boiling point  441.54°C (rough estimate)
density  1.1782 (rough estimate)
refractive index  1.6240 (estimate)
storage temp.  0-6°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 12.96±0.70(Predicted)
color  White to Off-White
Water Solubility  7mg/L(room temperature)
BRN  2395716
Major Application agriculture
environmental
InChI 1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey WZJZMXBKUWKXTQ-UHFFFAOYSA-N
SMILES CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
LogP 3.390
CAS DataBase Reference 13684-56-5(CAS DataBase Reference)
NIST Chemistry Reference Desmedipham(13684-56-5)
EPA Substance Registry System 13684-56-5(EPA Substance)

Safety Data

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  FD0425000
HS Code  29242990
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Toxicity
LC50 (96-hour) for rainbow trout 3.8 mg/L and bluegill sunfish 13.4 mg/L (Hartley and Kidd, 1987); acute oral LD50 of pure desmedipham and the formulated product for rats 10,300 and 3,700 mg/kg, respectively (Ashton and Monaco, 1991).

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