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CAS No.: | 137881-27-7 |
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Name: | 5-IODO-6-AMINO-1,2-BENZOPYRONE |
Molecular Structure: | |
Formula: | C9H6INO2 |
Molecular Weight: | 287.05 |
Synonyms: | 5-Iodo-6-amino-1,2-benzopyrone;6-Amino-5-iodo-1,2-benzopyrone; |
Density: | 2.029 g/cm3 |
Boiling Point: | 437.6 °C at 760 mmHg |
Flash Point: | 218.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 56.23000 |
LogP: | 2.56100 |
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The CAS register number of 2H-1-Benzopyran-2-one,6-amino-5-iodo- is 137881-27-7. It also can be called as 5-Iodo-6-amino-1,2-benzopyrone and the IUPAC name about this chemical is 6-amino-5-iodochromen-2-one. The molecular formula about this chemical is C9H6INO2 and the molecular weight is 287.05.
Physical properties about 2H-1-Benzopyran-2-one,6-amino-5-iodo- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.68; (5)ACD/BCF (pH 7.4): 7.68; (6)ACD/KOC (pH 5.5): 149.81; (7)ACD/KOC (pH 7.4): 149.82; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.737; (13)Molar Refractivity: 56.9 cm3; (14)Molar Volume: 141.4 cm3; (15)Polarizability: 22.56x10-24cm3; (16)Surface Tension: 68.9 dyne/cm; (17)Density: 2.029 g/cm3; (18)Flash Point: 218.4 °C; (19)Enthalpy of Vaporization: 69.42 kJ/mol; (20)Boiling Point: 437.6 °C at 760 mmHg; (21)Vapour Pressure: 7.4E-08 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 and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places with the temperature of 2-8 °C. If you follow the instructions, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2c(ccc1OC(=O)/C=C\c12)N
(2)InChI: InChI=1/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2
(3)InChIKey: WWRAFPGUBABZSD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2
(5)Std. InChIKey: WWRAFPGUBABZSD-UHFFFAOYSA-N the instructions