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| CAS No.: | 898832-40-1 |
|---|---|
| Name: | 8-FLUORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9ClFNO |
| Molecular Weight: | 153.156 |
| Synonyms: | 8-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine; |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 237.7 °C at 760 mmHg |
| Flash Point: | 97.6 °C |
| PSA: | 21.26000 |
| LogP: | 1.76800 |
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- Total:20 Page 1 of 1 1
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Specification
The 2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro-, with the CAS registry number 898832-40-1, has the systematic name of 8-fluoro-3,4-dihydro-2H-1,4-benzoxazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H9ClFNO.
The physical properties of 2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro- are as following: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 21.96; (6)ACD/BCF (pH 7.4): 22.27; (7)ACD/KOC (pH 5.5): 316.38; (8)ACD/KOC (pH 7.4): 320.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 38.76 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 15.36×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 97.6 °C; (20)Enthalpy of Vaporization: 47.45 kJ/mol; (21)Boiling Point: 237.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0442 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2OCCN1
(2)InChI: InChI=1/C8H8FNO/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
(3)InChIKey: TUSAJTKBOABBTR-UHFFFAOYAL