Benzenemethanesulfonylchloride, 3-cyano- supplier

Name
3-Cyanobenzylsulfonyl chloride
EINECS
CAS No. 56106-01-5
Article Data5
CAS DataBase
Density 1.459g/cm³
Solubility
Melting Point 100 °C
Formula C₈H₆ClNO₂S
Boiling Point 364.54 °C at 760 mmHg
Molecular Weight 215.66
Flash Point 174.268 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms (3-Cyanophenyl)methanesulfonylchloride;m-Cyanobenzenemethanesulfonyl chloride;
PSA 66.31000
LogP 2.70768

Benzenemethanesulfonylchloride, 3-cyano- Specification

The Benzenemethanesulfonylchloride, 3-cyano-, with CAS registry number 56106-01-5, has the systematic name of (3-cyanophenyl)methanesulfonyl chloride. Besides this, it is also called 3-Cyanobenzylsulfonyl chloride. And the chemical formula of this chemical is C₈H₆ClNO₂S.

Physical properties of Benzenemethanesulfonylchloride, 3-cyano-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 146; (8)ACD/KOC (pH 7.4): 146; (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: 1.586; (14)Molar Refractivity: 49.599 cm³; (15)Molar Volume: 147.82 cm³; (16)Polarizability: 19.663×10^-24cm³; (17)Surface Tension: 59.135 dyne/cm; (18)Density: 1.459 g/cm³; (19)Flash Point: 174.268 °C; (20)Enthalpy of Vaporization: 61.073 kJ/mol; (21)Boiling Point: 364.54 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)Cc1cccc(c1)C#N
(2)InChI: InChI=1/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2
(3)InChIKey: YNWYDZBBHOWDAE-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-2-7(4-8)5-10/h1-4H,6H2
(5)Std. InChIKey: YNWYDZBBHOWDAE-UHFFFAOYSA-N

Product Name

3-Cyanobenzylsulfonyl chloride

Benzenemethanesulfonylchloride, 3-cyano- Specification

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