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Benzenesulfonamide,3-cyano-

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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 Molecular Structure of 3118-68-1 (3-Cyanobenzenesulfonamide) Hazard Symbols IrritantXi
Synonyms

Benzenesulfonamide,m-cyano- (7CI,8CI);3-Cyanobenzenesulfonamide;3-Sulfamoylbenzonitrile;

Article Data 10

Benzenesulfonamide,3-cyano- Specification

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

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