-
Name
ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE
- EINECS
- CAS No. 394655-17-5
- Article Data2
- CAS DataBase
- Density 1.35 g/cm3
- Solubility
- Melting Point
- Formula C16H15NO3S
- Boiling Point 302.2 °C at 760 mmHg
- Molecular Weight 301.366
- Flash Point 136.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi; 
C
- Synonyms A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE;ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE;(3-METHOXYPHENYL)[(4-METHYLPHENYL)SULFONYL]ACETONITRILE;ALPHA-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE;[1-(3-METHOXYPHENYL)-1-TOSYL]METHYL ISOCYANIDE;(3-Methoxyphenyl)[(4-methylphenyl)sulphonyl]acetonitrile;Isocyano(3-methoxyphenyl)methyl-4-methylphenyl sulphone;1-(Isocyano(tosyl)methyl)-3-methoxybenzene
- PSA 51.75000
- LogP 3.70690
Benzene,1-[isocyano[(4-methylphenyl)sulfonyl]methyl]-3-methoxy- Specification
The Benzene,1-[isocyano[(4-methylphenyl)sulfonyl]methyl]-3-methoxy-, with CAS registry number 394655-17-5, has the systematic name of 1-{isocyano[(4-methylphenyl)sulfonyl]methyl}-3-methoxybenzene. Besides this, it is also called Isocyano(3-methoxyphenyl)methyl-4-methylphenyl sulfone. And the chemical formula of this chemical is C16H15NO3S.
Physical properties of Benzene,1-[isocyano[(4-methylphenyl)sulfonyl]methyl]-3-methoxy-: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 56.11 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)C([N+]#[C-])c2cc(OC)ccc2
(2)InChI: InChI=1/C16H15NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h4-11,16H,1,3H3
(3)InChIKey: INJOLCGALKIREA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H15NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h4-11,16H,1,3H3
(5)Std. InChIKey: INJOLCGALKIREA-UHFFFAOYSA-N
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