Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,2-bromo-5-[(dimethylamino)sulfonyl]- |
EINECS | N/A |
CAS No. | 3285-51-6 | Density | 1.677 g/cm3 |
PSA | 83.06000 | LogP | 2.47840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10BrNO4S | Boiling Point | 441.3 °C at 760 mmHg |
Molecular Weight | 308.15 | Flash Point | 220.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoicacid, 2-bromo-5-(dimethylsulfamoyl)- (7CI,8CI);2-Bromo-5-[(dimethylamino)sulfonyl]benzoic acid; |
Article Data | 1 |
The Benzoic acid,2-bromo-5-[(dimethylamino)sulfonyl]-, with the CAS registry number 3285-51-6, is also known as Benzoicacid, 2-bromo-5-(dimethylsulfamoyl)- (7CI,8CI). This chemical's molecular formula is C9H10BrNO4S and molecular weight is 308.15. What's more, its systematic name is 2-bromo-5-(dimethylsulfamoyl)benzoic acid.
Physical properties of Benzoic acid,2-bromo-5-[(dimethylamino)sulfonyl]- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 72.06 Å2; (9)Index of Refraction: 1.598; (10)Molar Refractivity: 62.7 cm3; (11)Molar Volume: 183.6 cm3; (12)Polarizability: 24.85×10-24cm3; (13)Surface Tension: 55.4 dyne/cm; (14)Density: 1.677 g/cm3; (15)Flash Point: 220.7 °C; (16)Enthalpy of Vaporization: 73.62 kJ/mol; (17)Boiling Point: 441.3 °C at 760 mmHg; (18)Vapour Pressure: 1.45E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1Br)S(=O)(=O)N(C)C
(2)InChI: InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
(3)InChIKey: ZZZSJGQAGWIFLN-UHFFFAOYSA-N