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| CAS No.: | 202865-64-3 |
|---|---|
| Name: | 4-BROMO-2-FLUOROBENZALDOXIME |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H5BrFNO |
| Molecular Weight: | 218.025 |
| Synonyms: | 4-Bromo-2-fluorobenzaldehydeoxime;(E)-1-(4-Bromo-2-fluorophenyl)-N-hydroxymethanimine; |
| Density: | 1.626 g/cm3 |
| Boiling Point: | 250.367 °C at 760 mmHg |
| Flash Point: | 105.218 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 32.59000 |
| LogP: | 2.39630 |
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Specification
The Benzaldehyde,4-bromo-2-fluoro-, oxime, with the CAS registry number 202865-64-3, is also known as 4-Bromo-2-fluorobenzaldehydeoxime. It belongs to the product categories of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. This chemical's molecular formula is C7H5BrFNO and molecular weight is 218.02. What's more, its systematic name is (E)-1-(4-Bromo-2-fluorophenyl)-N-hydroxymethanimine.
Physical properties about Benzaldehyde,4-bromo-2-fluoro-, oxime are: (1) ACD/LogP: 2.60; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 108; (6) ACD/BCF (pH 7.4): 108; (7) ACD/KOC (pH 5.5): 994; (8) ACD/KOC (pH 7.4): 994; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 32.59 Å2; (13) Index of Refraction: 1.564; (14) Molar Refractivity: 43.586 cm3; (15) Molar Volume: 134.067 cm3; (16) Polarizability: 17.279×10-24 cm3; (17) Surface Tension: 40.862 dyne/cm; (18) Density: 1.626 g/cm3; (19) Flash Point: 105.218 °C; (20) Enthalpy of Vaporization: 51.525 kJ/mol; (21) Boiling Point: 250.367 °C at 760 mmHg; (22) Vapour Pressure: 0.011 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(F)c(\C=N\O)cc1
(2) InChI: InChI=1/C7H5BrFNO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
(3) InChIKey: DHBUKMPUUDCJTH-ONNFQVAWBS