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538-32-9

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538-32-9 Structure

538-32-9 Structure

Identification	More
[Name] BENZYLUREA
[CAS] 538-32-9
[Synonyms] AKOS B028826 BENZYLUREA LABOTEST-BB LT01690254 N-BENZYLUREA (phenylmethyl)-ure 1-benzylurea benzylcarbamide benzyl-ure phenylmethylurea Benzylurea98% Urea, (phenylmethyl)- N-Benzylurea, 98+%
[EINECS(EC#)] 208-689-1
[Molecular Formula] C8H10N2O
[MDL Number] MFCD00007951
[Molecular Weight] 150.18
[MOL File] 538-32-9.mol

Chemical Properties	Back Directory
[Appearance] White to off-white powder
[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
[form ] Powder
[pka] 14.18±0.50(Predicted)
[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)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H303-H315-H319-H335
[Precautionary statements ] P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Safety Statements ] S24/25:Avoid contact with skin and eyes .
[WGK Germany ] 2
[RTECS ] YS1780000
[REACH Registrations] Active
[HS Code ] 29242100
[Storage Class] 11 - Combustible Solids
[Toxicity] LD50 orally in Rabbit: 4410 mg/kg

Hazard Information	Back Directory
[Chemical Properties] White to off-white powder
[Uses] Benzylurea is used as an organic chemical synthesis intermediate.
[Synthesis Reference(s)] Canadian Journal of Chemistry, 46, p. 2617, 1968 DOI: 10.1139/v68-425 The Journal of Organic Chemistry, 18, p. 1014, 1953 DOI: 10.1021/jo50014a016
[Safety Profile] Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes ofNOx.

Spectrum Detail	Back Directory
[Spectrum Detail] BENZYLUREA(538-32-9)MS BENZYLUREA(538-32-9)¹HNMR BENZYLUREA(538-32-9)¹³CNMR BENZYLUREA(538-32-9)IR1 BENZYLUREA(538-32-9)IR2 BENZYLUREA(538-32-9)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] Benzylurea, 93%(538-32-9)
[Alfa Aesar] Benzylurea, 98%(538-32-9)
[Sigma Aldrich] 538-32-9(sigmaaldrich)
[TCI AMERICA] Benzylurea,>98.0%(T)(538-32-9)

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