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CAS No.: | 31874-34-7 |
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Name: | 2,4-DIMETHOXYBENZALDOXIME |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C9H11NO3 |
Molecular Weight: | 181.191 |
Synonyms: | 2,4-Dimethoxybenzaldehydeoxime;2,4-Dimethoxybenzaldoxime;NSC 27022; |
Density: | 1.11g/cm3 |
Melting Point: | 105-108°C |
Boiling Point: | 304.9°Cat760mmHg |
Flash Point: | 138.2°C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 51.05000 |
LogP: | 1.51190 |
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The 2,4-Dimethoxybenzaldehydeoxime with cas registry number of 31874-34-7 belongs to the categories in Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. Its systematic name is called 1-(2,4-dimethoxyphenyl)-N-hydroxymethanimine. And its IUPAC name is known as (NE)-N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine.
The physical properties about this chemical are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.501; (7)Molar Refractivity: 47.78 cm3; (8)Molar Volume: 162.1 cm3; (9)Surface Tension: 35.4 dyne/cm; (10)Density: 1.11 g/cm3; (11)Flash Point: 138.2 °C; (12)Enthalpy of Vaporization: 57.58 kJ/mol; (13)Boiling Point: 304.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000372 mmHg at 25°C.
Uses of 2,4-Dimethoxybenzaldehydeoxime: it can be used to produce 2,4-dimethoxy-benzonitrile with reagent Envirocat EPZGR at temperature 100 ℃. The reaction time is 24 hours with 67% yield.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing during using it. In case of 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: O(c1cc(OC)ccc1C=NO)C;
(2)InChI: InChI=1/C9H11NO3/c1-12-8-4-3-7(6-10-11)9(5-8)13-2/h3-6,11H,1-2H3;
(3)InChIKey: SFDRVCQSVTYHLU-UHFFFAOYAN