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Urea, N-(phenylmethyl)-(CAS No. 538-32-9)

Urea, N-(phenylmethyl)- C8H10N2O (cas 538-32-9) Molecular Structure

538-32-9 Structure

Identification and Related Records

【Name】
Urea, N-(phenylmethyl)-
【Iupac name】
benzylurea
【CAS Registry number】
538-32-9
【Synonyms】
Urea,(phenylmethyl)- (9CI)
Urea, benzyl- (6CI,7CI,8CI)
1-Benzylurea
Benzylcarbamide
Benzylurea
N-Benzylurea
NSC 109103
【EINECS(EC#)】
208-689-1
【Molecular Formula】
C8H10 N2 O (Products with the same molecular formula)
【Molecular Weight】
150.18
【Inchi】
InChI=1/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
【Canonical SMILES】
C1=CC=C(C=C1)CNC(=O)N
【MOL File】
538-32-9.mol

Chemical and Physical Properties

【Density】
1.138g/cm3
【Melting Point】
149-151℃
【Boiling Point】
282.9°Cat760mmHg
【Refractive Index】
1.565
【Flash Point】
124.9°C
【Computed Properties】
Molecular Weight:150.1778 [g/mol]
Molecular Formula:C8H10N2O
XLogP3:0.7
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:150.079313
MonoIsotopic Mass:150.079313
Topological Polar Surface Area:55.1
Heavy Atom Count:11
Formal Charge:0
Complexity:130
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:5

Safety and Handling

【Safety Statements 】
S22;S24/25
【Safety】

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Safety Statements 24/25-22
S24/25:Avoid contact with skin and eyes. 
S22:Do not breathe dust.
WGK Germany 2
RTECS YS1780000

【Specification】

1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
2.Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam .
3.Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
4.Storage: Store in a cool, dry place. Store in a tightly closed container.

Supplier Location

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