Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Acetonitrile,2-(phenylsulfonyl)-

Related Products

Hot Products

Name

Acetonitrile,2-(phenylsulfonyl)-

EINECS 231-515-0
CAS No. 7605-28-9 Density 1.284 g/cm3
PSA 66.31000 LogP 2.06468
Solubility N/A Melting Point 112-114 °C(lit.)
Formula C8H7NO2S Boiling Point 398.5 °C at 760 mmHg
Molecular Weight 181.215 Flash Point 194.8 °C
Transport Information N/A Appearance White to off-white-greyish crystalline powder
Safety 36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 7605-28-9 ((PHENYLSULFONYL)ACETONITRILE) Hazard Symbols ToxicT
Synonyms

Acetonitrile,(phenylsulfonyl)- (8CI,9CI);(Benzenesulfonyl)acetonitrile;(Phenylsulfonyl)acetonitrile;2-(Phenylsulfonyl)acetonitrile;Cyano(phenylsulfonyl)methane;Cyanomethyl phenyl sulfone;NSC 51007;Acetonitrile, 2-(phenylsulfonyl)-;(Phenylsulfonyl)acetonitrile;

Article Data 35

Acetonitrile,2-(phenylsulfonyl)- Specification

The Acetonitrile,2-(phenylsulfonyl)-, with the CAS registry number 7605-28-9 and EINECS registry number 231-515-0, has the systematic nane of (phenylsulfonyl)acetonitrile. It is a kind of white to off-white-greyish crystalline powder, and belongs to the following product categories: C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. And the molecular formula of the chemical is C8H7NO2S.

The characteristics of Acetonitrile,2-(phenylsulfonyl)- are as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 34.95; (8)ACD/KOC (pH 7.4): 34.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.31 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 44.77 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 194.8 °C; (20)Enthalpy of Vaporization: 64.91 kJ/mol; (21)Boiling Point: 398.5 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-06 mmHg at 25°C.

Uses of Acetonitrile,2-(phenylsulfonyl)-: It can react with 3-nitro-benzaldehyde to produce a-benzenesulfonyl-3-nitro-cinnamonitrile. This reaction will need reagent KF/Al2O3,  and irradiation. And the yield is about 88%.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CC#N
(2)InChI: InChI=1/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
(3)InChIKey: ZFCFFNGBCVAUDE-UHFFFAOYAL

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 7605-28-9