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| CAS No.: | 5331-92-0 |
|---|---|
| Name: | 3,4-DICHLOROBENZALDEHYDE OXIME |
| Molecular Structure: | |
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| Formula: | C7H5Cl2NO |
| Molecular Weight: | 190.029 |
| Synonyms: | 3,4-Dichlorobenzaldehydeoxime;3,4-Dichlorobenzaldoxime;NSC 3935;NSC 68353; |
| EINECS: | -0 |
| Density: | 1.38g/cm3 |
| Melting Point: | 121-123°C |
| Boiling Point: | 278.2 °C at 760 mmHg |
| Flash Point: | 122.1 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 32.59000 |
| LogP: | 2.80150 |
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Specification
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