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| CAS No.: | 588-95-4 |
|---|---|
| Name: | 4-FLUOROBENZALDEHYDE OXIME |
| Molecular Structure: | |
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|
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| Formula: | C7H6FNO |
| Molecular Weight: | 139.129 |
| Synonyms: | Benzaldehyde,p-fluoro-, oxime, (Z)- (8CI);(Z)-4-Fluorobenzaldehyde oxime; |
| EINECS: | 209-628-1 |
| Density: | 1.14 g/cm3 |
| Melting Point: | 82-85 °C (lit.) |
| Boiling Point: | 194.9 °C at 760 mmHg |
| Flash Point: | 71.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36 |
| PSA: | 32.59000 |
| LogP: | 1.63380 |
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- Total:12 Page 1 of 1 1
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Specification
The Benzaldehyde,4-fluoro-, oxime, [C(Z)]-, with the CAS registry number of 588-95-4, is also known as p-Fluorobenzaldehyde oxime. It belongs to the product category of Fluorine Compounds. Its EINECS registry number is 209-628-1. This chemical's molecular formula is C7H6FNO and molecular weight is 139.127. What's more, its IUPAC name is (NE)-N-[(4-Fluorophenyl)methylidene]hydroxylamine.
Physical properties about Benzaldehyde,4-fluoro-, oxime, [C(Z)]- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.61; (6)ACD/BCF (pH 7.4): 20.61; (7)ACD/KOC (pH 5.5): 303.55; (8)ACD/KOC (pH 7.4): 303.5; (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: 1.505; (14)Molar Refractivity: 36.02 cm3; (15)Molar Volume: 121.4 cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 71.7 °C; (19)Enthalpy of Vaporization: 45.58 kJ/mol; (20)Boiling Point: 194.9 °C at 760 mmHg; (21)Vapour Pressure: 0.27 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(\C=N\O)cc1
(2) InChI: InChI=1/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
(3) InChIKey: FSKSLWXDUJVTHE-WEVVVXLNBK