The Acetic acid, 2-bromo-,ethenyl ester with CAS registry number of 5309-70-6 is also known as Aceticacid, bromo-, ethenyl ester (9CI) and Vinyl bromoacetate. The systematic name and product name are the same. In addition, the formula is C4H5BrO2 and the molecular weight is 164.99.
Physical properties about this chemical are: (1)ACD/LogP: 1.14; (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): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 142; (8)ACD/KOC (pH 7.4): 142; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 29.812 cm3; (15)Molar Volume: 106.32 cm3; (16)Polarizability: 11.819×10-24cm3; (17)Surface Tension: 34.229 dyne/cm; (18)Density: 1.552 g/cm3; (19)Flash Point: 39.789 °C; (20)Enthalpy of Vaporization: 37.934 kJ/mol; (21)Boiling Point: 142.18 °C at 760 mmHg; (22)Vapour Pressure: 5.657 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, 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: BrCC(=O)OC=C
2. InChI: InChI=1/C4H5BrO2/c1-2-7-4(6)3-5/h2H,1,3H2
3. InChIKey: DFEHSFZILGOAJK-UHFFFAOYAS
4. Std. InChI: InChI=1S/C4H5BrO2/c1-2-7-4(6)3-5/h2H,1,3H2
5. Std. InChIKey: DFEHSFZILGOAJK-UHFFFAOYSA-N
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