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66399-01-7

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Basic Information
CAS No.: 66399-01-7
Name: 4-CHLORO-3-NITROBENZALDEHYDE OXIME
Article Data: 3
Molecular Structure:
Molecular Structure of 66399-01-7 (4-CHLORO-3-NITROBENZALDEHYDE OXIME)
Formula: C7H5ClN2O3
Molecular Weight: 200.581
Synonyms: 4-Chloro-3-nitrobenzaldoxime;2-Chloro-5-[(hydroxyimino)methyl]nitrobenzene;
Density: 1.504 g/cm3
Melting Point: 147-150 °C
Boiling Point: 321.483 °C at 760 mmHg
Flash Point: 148.228 °C
PSA: 78.41000
LogP: 2.57950
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Specification

The Benzaldehyde,4-chloro-3-nitro-, oxime, with the CAS registry number 66399-01-7, is also known as 4-Chloro-3-nitrobenzenecarbaldehyde oxime. This chemical's molecular formula is C7H5ClN2O3 and molecular weight is 200.58. What's more, its systematic name is (E)-1-(4-chloro-3-nitrophenyl)-N-hydroxymethanimine.

Physical properties about Benzaldehyde,4-chloro-3-nitro-, oxime are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 78.41 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 46.42 cm3; (9)Molar Volume: 133.397 cm3; (10)Polarizability: 18.402×10-24 cm3; (11)Surface Tension: 58.899 dyne/cm; (12)Density: 1.504 g/cm3; (13)Flash Point: 148.228 °C; (14) Enthalpy of Vaporization: 59.461 kJ/mol; (15)Boiling Point: 321.483 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)\C=N\O
(2)InChI: InChI=1/C7H5ClN2O3/c8-6-2-1-5(4-9-11)3-7(6)10(12)13/h1-4,11H/b9-4+
(3)InChIKey: ONIQTTDQIOTCLD-RUDMXATFBS