Benzenesulfonamide,3-cyano- supplier

Name
3-Cyanobenzenesulfonamide
EINECS
CAS No. 3118-68-1
Article Data10
CAS DataBase
Density 1.47 g/cm³
Solubility
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
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;
PSA 92.33000
LogP 1.98678

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

Product Name

3-Cyanobenzenesulfonamide

Benzenesulfonamide,3-cyano- Specification

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