Propanenitrile,3-(phenylsulfonyl)- supplier

Name
3-(PHENYLSULFONYL)PROPIONITRILE
EINECS 233-424-1
CAS No. 10154-75-3
Article Data26
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point 94-96°C
Formula C₉H₉NO₂S
Boiling Point 425.2 °C at 760 mmHg
Molecular Weight 195.242
Flash Point 210.9 °C
Transport Information
Appearance
Safety 22-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Propionitrile,3-(phenylsulfonyl)- (6CI,7CI,8CI);2-Cyanoethyl phenyl sulfone;3-(Phenylsulfonyl)propanenitrile;3-(Phenylsulfonyl)propionitrile;NSC 71443;b-(Phenylsulfonyl)propionitrile;
PSA 66.31000
LogP 2.45478

Propanenitrile,3-(phenylsulfonyl)- Specification

The CAS registry number of Propanenitrile,3-(phenylsulfonyl)- is 10154-75-3. This chemical is also named as 3-(Phenylsulfonyl)propanenitrile. Its EINECS registry number is 233-424-1. In addition, its molecular formula is C₉H₉NO₂S and molecular weight is 195.24. Its IUPAC name is called 3-(benzenesulfonyl)propanenitrile.

Physical properties about Propanenitrile,3-(phenylsulfonyl)- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.12; (8)ACD/KOC (pH 7.4): 38.12; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 49.4 cm³; (14)Molar Volume: 157.6 cm³; (15)Surface Tension: 47 dyne/cm; (16)Density: 1.238 g/cm³; (17)Flash Point: 210.9 °C; (18)Enthalpy of Vaporization: 67.98 kJ/mol; (19)Boiling Point: 425.2 °C at 760 mmHg.

Preparation: this chemical can be prepared by acrylonitrile, benzenesulfinic acid and sodium salt. This reaction will need reagent acetic acid and solvent H₂O. The reaction time is 15 hours with reaction temperature of 100 °C. The yield is about 97 %.

Propanenitrile,3-(phenylsulfonyl)- can be prepared by acrylonitrile, benzenesulfinic acid and sodium salt

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Do not breathe dust. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CCC#N
(2)InChI: InChI=1/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
(3)InChIKey: OVZPZPVSUAKTCM-UHFFFAOYAM

Product Name

3-(PHENYLSULFONYL)PROPIONITRILE

Propanenitrile,3-(phenylsulfonyl)- Specification

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