Basic Information | Post buying leads | Suppliers |
Name |
3-Bromocyclobutane-1,1-dicarboxylic acid |
EINECS | N/A |
CAS No. | 827032-78-0 | Density | 2.06 g/cm3 |
PSA | 74.60000 | LogP | 0.69930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BrO4 | Boiling Point | 425.93 °C at 760 mmHg |
Molecular Weight | 223.023 | Flash Point | 211.395 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,1-cyclobutanedicarboxylic acid, 3-bromo-;3-Bromocyclobutane-1,1-dicarboxylic acid;LogP |
The CAS registry number of 1,1-Cyclobutanedicarboxylicacid, 3-bromo- is 827032-78-0. Its systematic name is 3-bromocyclobutane-1,1-dicarboxylic acid. In addition, the molecular formula is C6H7BrO4 and the molecular weight is 221.95. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,1-Cyclobutanedicarboxylicacid, 3-bromo- are: (1)ACD/LogP: 0.50; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 74.6 Å2; (10)Index of Refraction: 1.627; (11)Molar Refractivity: 38.353 cm3; (12)Molar Volume: 108.268 cm3; (13)Polarizability: 15.204 ×10-24cm3; (14)Surface Tension: 88.58 dyne/cm; (15)Density: 2.06 g/cm3; (16)Flash Point: 211.395 °C; (17)Enthalpy of Vaporization: 74.651 kJ/mol; (18)Boiling Point: 425.93 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C(CC1(C(=O)O)C(=O)O)Br
(2)Std. InChI: InChI=1S/C6H7BrO4/c7-3-1-6(2-3,4(8)9)5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
(3)Std. InChIKey: LTDLFBABDAEPPQ-UHFFFAOYSA-N