Product Name

  • Name

    2-CHLORO-5-NITRO-BENZALDEHYDE OXIME

  • EINECS
  • CAS No. 89692-57-9
  • Article Data5
  • CAS DataBase
  • Density 1.5 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H5ClN2O3
  • Boiling Point 328.1 °C at 760 mmHg
  • Molecular Weight 200.581
  • Flash Point 152.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 89692-57-9 (2-CHLORO-5-NITRO-BENZALDEHYDE OXIME)
  • Hazard Symbols
  • Synonyms Benzaldehyde, 2-chloro-5-nitro-, oxime;N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine;(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
  • PSA 78.41000
  • LogP 2.57950

(NZ)-N-[(2-chloro-5-nitro-phenyl)methylidene]hydroxylamine Specification

The (NZ)-N-[(2-chloro-5-nitro-phenyl)methylidene]hydroxylamine, with CAS registry number 89692-57-9, has the systematic name of 2-chloro-5-nitrobenzaldehyde oxime. Besides this, it is also called (2-chloro-5-nitrophenyl)(hydroxyimino)methane. And the chemical formula of this chemical is C7H5ClN2O3.

Physical properties of (NZ)-N-[(2-chloro-5-nitro-phenyl)methylidene]hydroxylamine: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.52; (6)ACD/BCF (pH 7.4): 52.46; (7)ACD/KOC (pH 5.5): 592.95; (8)ACD/KOC (pH 7.4): 592.23; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.41 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 46.41 cm3; (15)Molar Volume: 133.3 cm3; (16)Polarizability: 18.4×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 152.2 °C; (20)Enthalpy of Vaporization: 60.22 kJ/mol; (21)Boiling Point: 328.1 °C at 760 mmHg; (22)Vapour Pressure: 7.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1\C=N\O)[N+]([O-])=O
(2)InChI: InChI=1/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+
(3)InChIKey: BCVYAFHZIZEYLS-RUDMXATFBU
(4)Std. InChI: InChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+
(5)Std. InChIKey: BCVYAFHZIZEYLS-RUDMXATFSA-N

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