CAS No.125849-94-7,3,5-Dichloro-6-methyl-1,4-oxazin-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125849-94-7
Name:	3,5-Dichloro-6-methyl-1,4-oxazin-2-one
Article Data:	17

Formula:	C₅H₃Cl₂NO₂
Molecular Weight:	179.99
Synonyms:	2H-1,4-Oxazin-2-one, 3,5-dichloro-6-methyl-;3,5-Dichloro-6-methyl-2H-1,4-oxazin-2-one;5-Dichloro-6-methyl-1,4-oxazin-2-one;
Density:	1.628 g/cm³
Melting Point:	70 °C
Boiling Point:	212.12 °C at 760 mmHg
Flash Point:	82.088 °C
PSA:	43.10000
LogP:	1.65000

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Specification

The 3,5-Dichloro-6-methyl-1,4-oxazin-2-one is an organic compound with the formula C₅H₃Cl₂NO₂. The systematic name of this chemical is 5-Dichloro-6-methyl-1,4-oxazin-2-one. With the CAS registry number 125849-94-7, it is also named as 3,5-Dichloro-6-methyl-2H-1,4-oxazin-2-one. The category of the product is API intermediates. Besides, its molecular weight is 179.99.

The physical properties of 3,5-Dichloro-6-methyl-1,4-oxazin-2-one are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 129; (7)ACD/KOC (pH 7.4): 129; (8)#H bond acceptors: 3; (9)Polar Surface Area: 38.66 Å²; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 37.345 cm³; (12)Molar Volume: 110.588 cm³; (13)Polarizability: 14.805×10^-24 cm³; (14)Surface Tension: 45.595 dyne/cm; (15)Density: 1.628 g/cm³; (16)Flash Point: 82.088 °C; (17)Enthalpy of Vaporization: 44.842 kJ/mol; (18)Boiling Point: 212.12 °C at 760 mmHg; (19)Vapour Pressure: 0.176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(nc(c(=O)o1)Cl)Cl
(2)InChI: InChI=1/C5H3Cl2NO2/c1-2-3(6)8-4(7)5(9)10-2/h1H3
(3)InChIKey: IQINLHFBRNSNIE-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H3Cl2NO2/c1-2-3(6)8-4(7)5(9)10-2/h1H3
(5)Std. InChIKey: IQINLHFBRNSNIE-UHFFFAOYSA-N