Basic Information | Post buying leads | Suppliers |
Name |
1-Bromo-4-(2-methylphenoxy)sulfonyl-benzene |
EINECS | N/A |
CAS No. | 7463-25-4 | Density | 1.517 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11BrO3S | Boiling Point | 429 °C at 760 mmHg |
Molecular Weight | 327.199 | Flash Point | 213.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2-Methylphenyl) 4-bromobenzenesulfonate; |
The 1-Bromo-4-(2-methylphenoxy)sulfonyl-benzene, with the CAS registry number 7463-25-4, is also known as 2-Methylphenyl 4-bromobenzenesulfonate. This chemical's molecular formula is C13H11BrO3S and molecular weight is 327.1936. What's more, its IUPAC name is called (2-Methylphenyl) 4-bromobenzenesulfonate.
Physical properties about 1-Bromo-4-(2-methylphenoxy)sulfonyl-benzene are: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.606; (8)Molar Refractivity: 74.36 cm3; (9)Molar Volume: 215.5 cm3; (10)Surface Tension: 47.7 dyne/cm; (11)Density: 1.517 g/cm3; (12)Flash Point: 213.2 °C; (13)Enthalpy of Vaporization: 65.78 kJ/mol; (14)Boiling Point: 429 °C at 760 mmHg; (15)Vapour Pressure: 3.64E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)S(=O)(=O)Oc2ccccc2C
(2) InChI: InChI=1/C13H11BrO3S/c1-10-4-2-3-5-13(10)17-18(15,16)12-8-6-11(14)7-9-12/h2-9H,1H3
(3) InChIKey: CWXXRMDWLWLJPB-UHFFFAOYAU