Basic Information | Post buying leads | Suppliers | Cas Database |
The 1-Butanol, 4-iodo-,1-acetate is an organic compound with the formula C6H11IO2. The IUPAC name of this chemical is 4-iodobutyl acetate. With the CAS registry number 40596-44-9, it is also named as 1-Acetoxy-4-iodobutane. Besides, it should be stored in a closed cool and dry place.
Physical properties about 1-Butanol, 4-iodo-,1-acetate are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.19; (5)ACD/BCF (pH 7.4): 27.19; (6)ACD/KOC (pH 5.5): 370.17; (7)ACD/KOC (pH 7.4): 370.17; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 44.59 cm3; (13)Molar Volume: 149.8 cm3; (14)Polarizability: 17.67×10-24cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.614 g/cm3; (17)Flash Point: 90.6 °C; (18)Enthalpy of Vaporization: 47.04 kJ/mol; (19)Boiling Point: 233.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0551 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ICCCCOC(=O)C
(2)InChI: InChI=1/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
(3)InChIKey: FLPVVTDEKLGZDZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
(5)Std. InChIKey: FLPVVTDEKLGZDZ-UHFFFAOYSA-N