-
Name
6-FLUORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE
- EINECS
- CAS No. 105655-00-3
- Article Data9
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C8H8 F N O
- Boiling Point
- Molecular Weight 153.156
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-Fluoro-3,4-dihydro-2H-1,4-benzoxazine;6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine
- PSA 21.26000
- LogP 1.76800
2H-1,4-Benzoxazine,6-fluoro-3,4-dihydro- Specification
The 2H-1,4-Benzoxazine,6-fluoro-3,4-dihydro-, with the CAS registry number 105655-00-3, has the systematic name of 6-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,6-fluoro-3,4-dihydro- are as following: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 24.09; (6)ACD/BCF (pH 7.4): 27.65; (7)ACD/KOC (pH 5.5): 326.2; (8)ACD/KOC (pH 7.4): 374.4; (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: 98.7 °C; (20)Enthalpy of Vaporization: 47.64 kJ/mol; (21)Boiling Point: 239.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0399 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1OCCNc1c2
(2)InChI: InChI=1/C8H8FNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
(3)InChIKey: FQKORLPTBCMNGR-UHFFFAOYAP
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