18691-97-9

Name Methabenzthiazuron
CAS 18691-97-9
EINECS(EC#) 242-505-0
Molecular Formula C10H11N3OS
MDL Number MFCD00055498
Molecular Weight 221.28
MOL File 18691-97-9.mol

Chemical Properties

Melting point  119-120.5°
density  1.2527 (rough estimate)
refractive index  1.6740 (estimate)
Fp  11 °C
storage temp.  APPROX 4°C
solubility  DMSO, Methanol (Sparingly)
form  neat
pka 12.83±0.46(Predicted)
color  Off-White to Pale Beige
Water Solubility  59mg/L(20 ºC)
Merck  14,5939
BRN  196633
Henry's Law Constant 1.8×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI 1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChIKey RRVIAQKBTUQODI-UHFFFAOYSA-N
SMILES CNC(=O)N(C)c1nc2ccccc2s1
EPA Substance Registry System Urea, N-2-benzothiazolyl-N,N'- dimethyl-(18691-97-9)

Safety Data

Hazard Codes  N,T,F
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  YR8980000
HazardClass  9
PackingGroup  III
HS Code  29342000
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Toxicity
LD50 in mice (mg/kg): >1000 orally; in male, female rats (mg/kg): >2500, >2500 orally; 540, 315 i.p. (Kimmerle, Lser)

Hazard Information

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