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CAS No.: | 73542-86-6 |
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Name: | 2-CYANOBENZENESULFONAMIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H6 N2 O2 S |
Molecular Weight: | 182.203 |
Synonyms: | Benzenesulfonamide,o-cyano- (6CI,7CI);2-Cyanobenzenesulfonamide; |
Density: | 1.47 g/cm3 |
Melting Point: | 160-164 °C(lit.) |
Boiling Point: | 420.6 °C at 760 mmHg |
Flash Point: | 208.2 °C |
Safety: | 22-24/25 |
PSA: | 92.33000 |
LogP: | 1.98678 |
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This chemical is called Benzenesulfonamide,2-cyano-, and its systematic name is 2-cyanobenzenesulfonamide. With the molecular formula of C7H6N2O2S, its molecular weight is 182.20. The CAS registry number of this chemical is 73542-86-6. Additionally, its product categories are Sulfonamide; Organic Building Blocks; Sulfur Compounds.
Other characteristics of the Benzenesulfonamide,2-cyano- can be summarised as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.13; (8)ACD/KOC (pH 7.4): 24.87; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.55 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 43.75 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 72.4 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 208.2 °C; (20)Enthalpy of Vaporization: 67.45 kJ/mol; (21)Boiling Point: 420.6 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccccc1S(=O)(=O)N
2.InChI: InChI=1/C7H6N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,(H2,9,10,11)
3.InChIKey: QZBOWJXHXLIMGD-UHFFFAOYAF