Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-1,4-Benzoxazin-3(4H)-one, 7-amino-6-chloro- |
EINECS | N/A |
CAS No. | 40401-45-4 | Density | 1.481 g/cm3 |
PSA | 64.35000 | LogP | 1.97230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7ClN2O2 | Boiling Point | 428.832 °C at 760 mmHg |
Molecular Weight | 198.609 | Flash Point | 213.15 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Amino-6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one;7-Amino-6-chloro-4H-benzo[1,4]oxazin-3-one;7-Amino-6-chloro-2H-1,4-benzoxazin-3(4H)-one; |
Article Data | 2 |
The 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-6-chloro-, with the CAS registry number 40401-45-4, is also known as 7-Amino-6-chloro-4H-benzo[1,4]oxazin-3-one. This chemical's molecular formula is C8H7ClN2O2 and molecular weight is 198.61. What's more, its systematic name is 7-Amino-6-chloro-2H-1,4-benzoxazin-3(4H)-one.
Physical properties of 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-6-chloro- are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 78; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.35 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 48.03 cm3; (15)Molar Volume: 134.068 cm3; (16)Polarizability: 19.041×10-24 cm3; (17)Surface Tension: 58.832 dyne/cm; (18)Density: 1.481 g/cm3; (19)Flash Point: 213.15 °C; (20)Enthalpy of Vaporization: 68.403 kJ/mol; (21)Boiling Point: 428.832 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2NC(=O)COc2cc1N
(2)InChI: InChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3,10H2,(H,11,12)
(3)InChIKey: RXHIJDUZDJCOAG-UHFFFAOYSA-N