Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-1-Benzopyran-2-one,7-amino-4-(chloromethyl)- |
EINECS | N/A |
CAS No. | 147963-22-2 | Density | 1.399 g/cm3 |
PSA | 56.23000 | LogP | 2.69520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8ClNO2 | Boiling Point | 410.3 °C at 760 mmHg |
Molecular Weight | 209.632 | Flash Point | 201.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
CellTrackerBlue CMAC; |
Article Data | 10 |
The 2H-1-Benzopyran-2-one,7-amino-4-(chloromethyl)-, with the CAS registry number 147963-22-2, is also known as 7-Amino-4-chloromethylcoumarin. This chemical's molecular formula is C10H8ClNO2 and molecular weight is 209.63. Its systematic name is called 7-amino-4-(chloromethyl)-2H-chromen-2-one.
Physical properties of 2H-1-Benzopyran-2-one,7-amino-4-(chloromethyl)-: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.31; (5)ACD/BCF (pH 7.4): 4.31; (6)ACD/KOC (pH 5.5): 98.99; (7)ACD/KOC (pH 7.4): 99; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 53.54 cm3; (13)Molar Volume: 149.8 cm3; (14)Surface Tension: 55.4 dyne/cm; (15)Density: 1.399 g/cm3; (16)Flash Point: 201.9 °C; (17)Enthalpy of Vaporization: 66.26 kJ/mol; (18)Boiling Point: 410.3 °C at 760 mmHg; (19)Vapour Pressure: 6.1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC=1c2c(OC(=O)C=1)cc(cc2)N
(2)InChI: InChI=1/C10H8ClNO2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5,12H2
(3)InChIKey: VIEYMVWPECAOCY-UHFFFAOYAY