Products Categories
CAS No.: | 3118-68-1 |
---|---|
Name: | 3-Cyanobenzenesulfonamide |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H6N2O2S |
Molecular Weight: | 182.203 |
Synonyms: | Benzenesulfonamide,m-cyano- (7CI,8CI);3-Cyanobenzenesulfonamide;3-Sulfamoylbenzonitrile; |
Density: | 1.47 g/cm3 |
Melting Point: | 151-153 °C |
Boiling Point: | 392.5 °C at 760 mmHg |
Flash Point: | 191.2 °C |
Appearance: | UN3439 |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 7/9-22-24/25-26-36/37-38-51 |
PSA: | 92.33000 |
LogP: | 1.98678 |
What can I do for you?
Get Best Price
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