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2H-1-Benzopyran-2-one, 7-amino-4-(methoxymethyl)-

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Name

2H-1-Benzopyran-2-one, 7-amino-4-(methoxymethyl)-

EINECS N/A
CAS No. 175205-10-4 Density 1.272 g/cm3
PSA 65.46000 LogP 2.10280
Solubility N/A Melting Point 179 °C
Formula C11H11NO3 Boiling Point 394.4 °C at 760 mmHg
Molecular Weight 205.21 Flash Point 217.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175205-10-4 (7-AMINO-4-(METHOXYMETHYL)COUMARIN) Hazard Symbols IrritantXi
Synonyms

7-Amino-4-methoxymethylcoumarin;

 

2H-1-Benzopyran-2-one, 7-amino-4-(methoxymethyl)- Specification

This chemical is called 2H-1-Benzopyran-2-one, 7-amino-4-(methoxymethyl)-, and its systematic name is 7-amino-4-(methoxymethyl)-2H-chromen-2-one. With the molecular formula of C11H11NO3, its molecular weight is 205.21. The CAS registry number of this chemical is 175205-10-4. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 2H-1-Benzopyran-2-one, 7-amino-4-(methoxymethyl)- can be summarised as followings: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 43.54; (8)ACD/KOC (pH 7.4): 43.55; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 55.07 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 21.83×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 64.45 kJ/mol; (21)Boiling Point: 394.4 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-06 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.ILES: =C/2Oc1cc(ccc1\C(=C\2)COC)N
2.ChI: nChI=1/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3
3.ChIKey: ZZLLHOMMCKWIQ-UHFFFAOYAC

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