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3118-68-1

Basic Information
CAS No.: 3118-68-1
Name: 3-Cyanobenzenesulfonamide
Article Data: 10
Molecular Structure:
Molecular Structure of 3118-68-1 (3-Cyanobenzenesulfonamide)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 7/9-22-24/25-26-36/37-38-51
PSA: 92.33000
LogP: 1.98678
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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-27-67849912

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  • Benzenesulfonamide,3-cyano-

  • Casno:

    3118-68-1

    Benzenesulfonamide,3-cyano-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    3-Cyanobenzenesulfonamide

    Beijing ChemSun PharmTech Co.,Ltd, located in Beijing Fengtai Science Park, is a competitive player in the global specialty and fine chemical marke

  • Beijing Chemsun Pharmtech Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-10-63787357,63786746

    Address:Beijing Fengtai Science Park Haiying Road 9# Building 2# Floor 2#,100070,Beijing,China

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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