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Molecular Structure of 4-Benzyloxy-3-chloronitrobenzene (CAS NO.50508-54-8):
IUPAC Name: 2-Chloro-4-nitro-1-phenylmethoxybenzene
Molecular Formula: C13H10ClNO3
Molecular Weight: 263.68
Melting Point: 115-119 °C(lit.)
Index of Refraction: 1.612
Molar Refractivity: 68.85 cm3
Molar Volume: 197.9 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.332 g/cm3
Flash Point: 197.6 °C
Enthalpy of Vaporization: 62.9 kJ/mol
Boiling Point: 403.2 °C at 760 mmHg
Vapour Pressure: 2.41E-06 mmHg at 25 °C
Product Categories: Nitro Compounds; Nitrogen Compounds; Organic Building Blocks
Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C13H10ClNO3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey: KCGQYXJMQHAREQ-UHFFFAOYSA-N
Safety Information of 4-Benzyloxy-3-chloronitrobenzene (CAS NO.50508-54-8):
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
4-Benzyloxy-3-chloronitrobenzene (CAS NO.50508-54-8), its Synonyms are 4-Benzyloxy-3-chloro nitrobenzene 97 ; 1-(Benzyloxy)-2-chloro-4-nitrobenzene .