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154264-95-6

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Basic Information
CAS No.: 154264-95-6
Name: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
Molecular Structure:
Molecular Structure of 154264-95-6 (7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE)
Formula: C9H10BrNO
Molecular Weight: 228.09
Synonyms: 7-Bromo-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine;
Density: 1.476 g/cm3
Melting Point: 47 °C
Boiling Point: 309.187 °C at 760 mmHg
Flash Point: 140.792 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 12.47000
LogP: 2.34270
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Specification

The 2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-4-methyl- is an organic compound with the formula C9H10BrNO. The IUPAC name of this chemical is 7-Bromo-4-methyl-2,3-dihydro-1,4-benzoxazine. With the CAS registry number 154264-95-6, it is also named as 7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine. Besides, its molecular weight is 228.09.

Physical properties about 2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-4-methyl- are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.81; (3)ACD/LogD (pH 7.4): 2.938; (4)ACD/BCF (pH 5.5): 74.937; (5)ACD/BCF (pH 7.4): 100.542; (6)ACD/KOC (pH 5.5): 702.588; (7)ACD/KOC (pH 7.4): 942.654; (8)#H bond acceptors: 2; (9)Polar Surface Area: 12.47 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 51.385 cm3; (12)Molar Volume: 154.545 cm3; (13)Polarizability: 20.371×10-24 cm3; (14)Surface Tension: 40.656 dyne/cm; (15)Density: 1.476 g/cm3; (16)Flash Point: 140.792 °C; (17)Enthalpy of Vaporization: 54.992 kJ/mol; (18)Boiling Point: 309.187 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
(2)InChIKey: MQMFOFZKZBLSAB-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
(4)Std. InChIKey: MQMFOFZKZBLSAB-UHFFFAOYSA-N