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CAS No.: | 451-79-6 |
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Name: | 2-FLUOROBENZALDOXIME |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C7H6FNO |
Molecular Weight: | 139.129 |
Synonyms: | 2-Fluorobenzaldehydeoxime;2-Fluorobenzaldoxime;o-Fluorobenzaldoxime; |
EINECS: | 653-815-4 |
Density: | 1.14 g/cm3 |
Boiling Point: | 202.9 °C at 760 mmHg |
Flash Point: | 76.5 °C |
Solubility: | at 25 deg C (mg/L): 1559 |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 32.59000 |
LogP: | 1.63380 |
The Benzaldehyde,2-fluoro-, oxime is an organic compound with the formula C7H6FNO. The systematic name of this chemical is 2-fluorobenzaldehyde oxime. With the CAS registry number 451-79-6, it is also named as (2-fluorophenyl)(hydroxyimino)methane. The product's category is Fluorine Compounds.
Physical properties about Benzaldehyde,2-fluoro-, oxime are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 2.06; (4)ACD/BCF (pH 5.5): 21.53; (5)ACD/BCF (pH 7.4): 21.53; (6)ACD/KOC (pH 5.5): 313.21; (7)ACD/KOC (pH 7.4): 313.12; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.59 Å2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 36.02 cm3; (14)Molar Volume: 121.4 cm3; (15)Polarizability: 14.28×10-24cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 76.5 °C; (19)Enthalpy of Vaporization: 46.42 kJ/mol; (20)Boiling Point: 202.9 °C at 760 mmHg; (21)Vapour Pressure: 0.174 mmHg at 25°C.
Uses of Benzaldehyde,2-fluoro-, oxime: it can be used to produce 2-fluoro-benzaldehyde O-butyl-oxime by heating. It will need reagent NaOEt and solvent ethanol. The yield is about 31%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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: Fc1ccccc1\C=N\O
(2)InChI: InChI=1/C7H6FNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
(3)InChIKey: YPVOCNRPBFPDLO-WEVVVXLNBU
(4)Std. InChI: InChI=1S/C7H6FNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
(5)Std. InChIKey: YPVOCNRPBFPDLO-WEVVVXLNSA-N