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| CAS No.: | 21272-85-5 |
|---|---|
| Name: | NITROMETHYL PHENYL SULFONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H7NO4S |
| Molecular Weight: | 201.203 |
| Synonyms: | nitromethylsulfonylbenzene;Nitromethyl phenyl sulfone;benzene, [(nitromethyl)sulfonyl]-;[(nitromethyl)sulphonyl]benzene; |
| EINECS: | 244-308-5 |
| Density: | 1.397 g/cm3 |
| Melting Point: | 78-80 °C |
| Boiling Point: | 399.8 °C at 760 mmHg |
| Flash Point: | 195.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22 |
| Safety: | 22-24/25 |
| PSA: | 88.34000 |
| LogP: | 2.29850 |
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- Total:10 Page 1 of 1 1
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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