Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenesulfonamide,3-cyano- |
EINECS | N/A |
CAS No. | 3118-68-1 | Density | 1.47 g/cm3 |
PSA | 92.33000 | LogP | 1.98678 |
Solubility | N/A | Melting Point |
151-153 °C |
Formula | C7H6N2O2S | Boiling Point | 392.5 °C at 760 mmHg |
Molecular Weight | 182.203 | Flash Point | 191.2 °C |
Transport Information | N/A | Appearance | UN3439 |
Safety | 7/9-22-24/25-26-36/37-38-51 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzenesulfonamide,m-cyano- (7CI,8CI);3-Cyanobenzenesulfonamide;3-Sulfamoylbenzonitrile; |
Article Data | 10 |
The CAS register number of Benzenesulfonamide,3-cyano- is 3118-68-1. It also can be called as 3-Sulfamoylbenzonitrile and the IUPAC name about this chemical is 3-cyanobenzenesulfonamide. The molecular formula about this chemical is C7H6N2O2S and the molecular weight is 182.19974. It belongs to the following product category which includes Sulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide,3-cyano- are: (1)ACD/LogP: 0.24; (2)ACD/LogD (pH 5.5): 0.24; (3)ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.28; (7)ACD/KOC (pH 7.4): 32.06; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 69.55 Å2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 43.75 cm3; (14)Molar Volume: 123.6 cm3; (15)Polarizability: 17.34x10-24cm3; (16)Surface Tension: 72.4 dyne/cm; (17)Density: 1.47 g/cm3; (18)Flash Point: 191.2 °C; (19)Enthalpy of Vaporization: 64.22 kJ/mol; (20)Boiling Point: 392.5 °C at 760 mmHg; (21)Vapour Pressure: 2.29E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1)S(=O)(=O)N
(2)InChI: InChI=1/C7H6N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,(H2,9,10,11)
(3)InChIKey: LTOFQPCBIZPXFH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,(H2,9,10,11)
(5)Std. InChIKey: LTOFQPCBIZPXFH-UHFFFAOYSA-N