CAS No.398-63-0,6-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	398-63-0
Name:	6-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Article Data:	12
Cas Database

Formula:	C₈H₆FNO₂
Molecular Weight:	167.14
Synonyms:	6-Fluoro-4H-benzo[1,4]oxazin-3-one;NSC 190642;
Density:	1.347 g/cm³
Melting Point:	207-211 °C(lit.)
Boiling Point:	322.9 °C at 760 mmHg
Flash Point:	149.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	38.33000
LogP:	1.29460

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Specification

The CAS register number of 2H-1,4-Benzoxazin-3(4H)-one,6-fluoro- is 398-63-0. It also can be called as 6-fluoro-2H,4H-benzo[e]1,4-oxazaperhydroin-3-one and the IUPAC name about this chemical is 6-fluoro-4H-1,4-benzoxazin-3-one. The molecular formula about this chemical is C₈H₆FNO₂ and the molecular weight is 167.14. It belongs to the following product categories which include API intermediates; Benzoxazines; Building Blocks; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1,4-Benzoxazin-3(4H)-one,6-fluoro- are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.97; (5)ACD/BCF (pH 7.4): 3.97; (6)ACD/KOC (pH 5.5): 93.3; (7)ACD/KOC (pH 7.4): 93.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 29.54Å²; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 38.89 cm³; (13)Molar Volume: 124 cm³; (14)Polarizability: 15.41x10^-24cm³; (15)Surface Tension: 40.8 dyne/cm; (16)Flash Point: 149.1 °C; (17)Enthalpy of Vaporization: 56.48 kJ/mol; (18)Boiling Point: 322.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00027 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)SMILES: Fc2ccc1OCC(=O)Nc1c2
(2)InChI: InChI=1/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
(3)InChIKey: ZKNRUFWEZPGGQP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: ZKNRUFWEZPGGQP-UHFFFAOYSA-N