BENZYLUREA Structure

BENZYLUREA

Chemical Properties

Melting point 149-151 °C(lit.)
Boiling point 271.72°C (rough estimate)
Density  1.1392 (rough estimate)
refractive index  1.6180 (estimate)
storage temp.  Store below +30°C.
solubility  17g/l
pka 14.18±0.50(Predicted)
form  Powder
color  White to off-white
Water Solubility  Slightly soluble in water.
Merck  14,1147
BRN  2208083
InChI InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKey RJNJWHFSKNJCTB-UHFFFAOYSA-N
SMILES N(CC1=CC=CC=C1)C(N)=O
LogP 0.73 at 20℃
CAS DataBase Reference 538-32-9(CAS DataBase Reference)
FDA UNII 0K14I09J76
UNSPSC Code 12352111
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H303-H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety Statements  24/25-22
WGK Germany  2
RTECS  YS1780000
HS Code  2924 21 00
Storage Class 11 - Combustible Solids
Toxicity LD50 orally in Rabbit: 4410 mg/kg
NFPA 704:
1
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