((Nitromethyl)sulphonyl)benzene supplier

Name
NITROMETHYL PHENYL SULFONE
EINECS 244-308-5
CAS No. 21272-85-5
Article Data11
CAS DataBase
Density 1.397 g/cm³
Solubility
Melting Point 78-80 °C
Formula C₇H₇NO₄S
Boiling Point 399.8 °C at 760 mmHg
Molecular Weight 201.203
Flash Point 195.6 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms nitromethylsulfonylbenzene;Nitromethyl phenyl sulfone;benzene, [(nitromethyl)sulfonyl]-;[(nitromethyl)sulphonyl]benzene;
PSA 88.34000
LogP 2.29850

((Nitromethyl)sulphonyl)benzene Specification

This chemical is called ((Nitromethyl)sulphonyl)benzene, and it's also named as benzene, [(nitromethyl)sulfonyl]-. With the molecular formula of C₇H₇NO₄S, its molecular weight is 201.1998 . The CAS registry number of this chemical is 21272-85-5.

Physical properties about ((Nitromethyl)sulphonyl)benzene are:(1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): -0.29; (3)ACD/LogD (pH 7.4): -1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.79; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 88.34Å²; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 46.23 cm³; (13)Molar Volume: 143.9 cm³; (14)Polarizability: 18.33×10^-24cm³; (15)Surface Tension: 49.6 dyne/cm; (16)Density: 1.397 g/cm³; (17)Flash Point: 195.6 °C; (18)Enthalpy of Vaporization: 65.05 kJ/mol; (19)Boiling Point: 399.8 °C at 760 mmHg; (20)Vapour Pressure: 1.34E-06 mmHg at 25°C;

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contact with skin and if swallowed. Do not breathe dust and avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccccc1)C[N+]([O-])=O
2.InChI: InChI=1/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2
3.InChIKey: ADKLJTCVZHUANG-UHFFFAOYAR

Product Name

NITROMETHYL PHENYL SULFONE

((Nitromethyl)sulphonyl)benzene Specification

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