74223-64-6

Name 2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester
CAS 74223-64-6
Molecular Formula C14H15N5O6S
MDL Number MFCD00128061
Molecular Weight 381.36
MOL File 74223-64-6.mol

Chemical Properties

Appearance White, off-white or pale yellow crystalline solid. Slight, sweet odor; ester-like.
Melting point  158°C
Boiling point  181°C (rough estimate)
density  1.4561 (rough estimate)
refractive index  1.6460 (estimate)
storage temp.  0-6°C
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
form  neat
pka 2.55±0.10(Predicted)
color  White to Off-White
Water Solubility  27mg/L(temperature not stated)
Detection Methods HPLC,NMR
BRN  587472
Henry's Law Constant 7.5×1010 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
InChIKey RSMUVYRMZCOLBH-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC=CC=C1S(NC(NC1=NC(OC)=NC(C)=N1)=O)(=O)=O
LogP 2.200
CAS DataBase Reference 74223-64-6(CAS DataBase Reference)
EPA Substance Registry System 74223-64-6(EPA Substance)

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-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  UN3077 9/PG 3
WGK Germany  2
RTECS  DH3563000
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Hazardous Substances Data 74223-64-6(Hazardous Substances Data)
Toxicity
LD50 in male and female rats, in male and female rabbits (mg/kg): >5000, >2000 orally; LC50 (96 hour) in American perch, rainbow trout: 150 ppm; LD50 in wild ducks: 2510 mg/kg (Lefebvre)

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