CAS No.89976-75-0,6-Amino-2H-1,4-benzoxazin-3(4H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89976-75-0
Name:	6-Amino-2H-1,4-benzoxazin-3(4H)-one
Article Data:	23

Formula:	C₈H₈N₂O₂
Molecular Weight:	164.164
Synonyms:	6-Amino-2H-1,4-benzoxazin-3(4H)-one;6-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one;6-Amino-3,4-dihydro-3-oxo-2H-1,4-benzoxazine;6-Amino-3-oxo-3,4-dihydrobenzo[1,4]oxazine;6-Amino-4H-benzo[1,4]oxazin-3-one;
Density:	1.344 g/cm³
Melting Point:	266-268 °C
Boiling Point:	429.2 °C at 760 mmHg
Flash Point:	213.4 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	64.35000
LogP:	1.31890

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Specification

The 6-Amino-2H-1,4-benzoxazin-3(4H)-one, with the CAS registry number 89976-75-0, is also known as 6-Amino-2H-1,4-benzoxazin-3(4H)-one. This chemical's molecular formula is C₈H₈N₂O₂ and molecular weight is 164.16132. Its IUPAC name is called 6-amino-4H-1,4-benzoxazin-3-one.

Physical properties of 6-Amino-2H-1,4-benzoxazin-3(4H)-one: (1)ACD/LogP: -0.77; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.26; (7)ACD/KOC (pH 7.4): 9.12; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 43.13 cm³; (13)Molar Volume: 122.1 cm³; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.344 g/cm³; (16)Flash Point: 213.4 °C; (17)Enthalpy of Vaporization: 68.45 kJ/mol; (18)Boiling Point: 429.2 °C at 760 mmHg; (19)Vapour Pressure: 1.43E-07 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)N
(2)InChI: InChI=1S/C8H8N2O2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: GEPGYMHEMLZMBC-UHFFFAOYSA-N