3,4-DICHLOROBENZALDEHYDE OXIME

The Benzaldehyde,3,4-dichloro-, oxime, with CAS registry number 5331-92-0, has the systematic name of 3,4-dichlorobenzaldehyde oxime. And its IUPAC name is (NE)-N-[(3,4-dichlorophenyl)methylidene]hydroxylamine. The chemical formula of this chemical is C₇H₅Cl₂NO. Its molecular weight is 190.02.

Physical properties of Benzaldehyde,3,4-dichloro-, oxime: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 201.63; (6)ACD/BCF (pH 7.4): 201.58; (7)ACD/KOC (pH 5.5): 1553.12; (8)ACD/KOC (pH 7.4): 1552.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.36 cm³; (15)Molar Volume: 137.2 cm³; (16)Polarizability: 17.98×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 122.1 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 278.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00207 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde,3,4-dichloro-, oxime irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(\C=N\O)cc1Cl
(2)InChI: InChI=1/C7H5Cl2NO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H/b10-4+
(3)InChIKey: ROBIUDOANJUDHD-ONNFQVAWBU
(4)Std. InChI: InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H/b10-4+
(5)Std. InChIKey: ROBIUDOANJUDHD-ONNFQVAWSA-N