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| CAS No.: | 99705-50-7 |
|---|---|
| Name: | 3'-(TRIFLUOROMETHYL)ACETOPHENONE OXIME |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H8F3NO |
| Molecular Weight: | 203.164 |
| Synonyms: | m-(Trifluoromethyl)acetophenone oxime; |
| Density: | 1.23 g/cm3 |
| Melting Point: | 83-86 °C |
| Boiling Point: | 255.4 °C at 760 mmHg |
| Flash Point: | 108.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 32.59000 |
| LogP: | 2.90360 |
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Specification
The Ethanone,1-[3-(trifluoromethyl)phenyl]-, oxime, with the CAS registry number 99705-50-7, is also known as ZINC12417369. This chemical's molecular formula is C9H8F3NO and molecular weight is 203.16. Its IUPAC name is called (NZ)-N-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Ethanone,1-[3-(trifluoromethyl)phenyl]-, oxime: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.54; (6)ACD/BCF (pH 7.4): 68.52; (7)ACD/KOC (pH 5.5): 717.4; (8)ACD/KOC (pH 7.4): 717.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 45.33 cm3; (14)Molar Volume: 164.1 cm3; (15)Surface Tension: 28.8 dyne/cm; (16)Density: 1.23 g/cm3; (17)Flash Point: 108.2 °C; (18)Enthalpy of Vaporization: 52.07 kJ/mol; (19)Boiling Point: 255.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00845 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you shohld rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=NO)C1=CC(=CC=C1)C(F)(F)F
(2)Isomeric SMILES: C/C(=N/O)/C1=CC(=CC=C1)C(F)(F)F
(3)InChI: InChI=1S/C9H8F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,1H3/b13-6-
(4)InChIKey: QQGVWMIRCZEUBB-MLPAPPSSSA-N