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| CAS No.: | 3349-64-2 |
|---|---|
| Name: | 1,2,3,4-Tetrahydronaphthalen-1-one oxime |
| Molecular Structure: | |
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| Formula: | C10H11NO |
| Molecular Weight: | 161.203 |
| Synonyms: | 1-Tetraloneoxime;3,4-Dihydro-1(2H)-naphthalenone oxime;4-Dihydro-2H-naphthalen-1-oneoxime;NSC 27894;Tetralone oxime;a-Tetralone oxime; |
| EINECS: | 222-106-8 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 103 °C |
| Boiling Point: | 318.6 °C at 760 mmHg |
| Flash Point: | 194.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 32.59000 |
| LogP: | 2.20120 |
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Specification
The 1(2H)-Naphthalenone,3,4-dihydro-, oxime is an organic compound with the formula C10H11NO. The IUPAC name of this chemical is (NE)-N-(3,4-Dihydro-2H-naphthalen-1-ylidene)hydroxylamine. With the CAS registry number 3349-64-2, it is also named as 3,4-Dihydronaphthalen-1(2H)-one oxime. Besides, its molecular weight is 161.2.
Physical properties about 1(2H)-Naphthalenone,3,4-dihydro-, oxime are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 31.96; (5)ACD/BCF (pH 7.4): 31.96; (6)ACD/KOC (pH 5.5): 415.57; (7)ACD/KOC (pH 7.4): 415.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.59 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 47.43 cm3; (14)Molar Volume: 138.4 cm3; (15)Polarizability: 18.8×10-24 cm3; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.16 g/cm3; (18)Flash Point: 194.4 °C; (19)Enthalpy of Vaporization: 59.13 kJ/mol; (20)Boiling Point: 318.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000149 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1,2-Dihydro-naphthalene. This reaction will need reagent EtONO; NaBH4; ClCoIII(DH)2py, and solvent Benzene. The reaction time is 36 hours. The yield is about 65%.
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Uses of 1(2H)-Naphthalenone,3,4-dihydro-, oxime: it can be used to produce 1,3,4,5-Tetrahydro-benzo[b]azepin-2-one. This reaction is a kind of Beckmann rearrangement. It will need reagent AlCl3; NaI and solvent Acetonitrile with reaction time of 2.4 hours. The yield is about 82%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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)InChI: InChI=1/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+
(2)InChIKey: YFDVQUUMKXZPLK-ZHACJKMWBI
(3)Std. InChI: InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+
(4)Std. InChIKey: YFDVQUUMKXZPLK-ZHACJKMWSA-N