1H-Pyrrole,2,5-dihydro-1-[(4-methylphenyl)sulfonyl]- supplier

Name
N-(P-TOLUENESULFONYL)-3-PYRROLINE
EINECS
CAS No. 16851-72-2
Article Data155
CAS DataBase
Density 1.264 g/cm³
Solubility
Melting Point 127 °C
Formula C₁₁H₁₃NO₂S
Boiling Point 354.167 °C at 760 mmHg
Molecular Weight 223.296
Flash Point 167.994 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 3-Pyrroline,1-(p-tolylsulfonyl)- (8CI);1-(Toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole;1-(p-Toluenesulfonyl)-2,5-dihydropyrrole;1-Tosyl-2,5-dihydropyrrole;1-[(4-Methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrole;2,5-Dihydro-1-(4-methylphenylsulfonyl)-1H-pyrrole;2,5-Dihydro-1-tosyl-1H-pyrrole;2,5-Dihydro-N-(4-methylphenylsulfonyl)-1H-pyrrole;N-Tosyl-2,5-dihydropyrrole;N-Tosyl-3-pyrroline;N-Tosylpyrroline;N-p-Toluenesulfonyl-3-pyrroline;
PSA 45.76000
LogP 2.57420

1H-Pyrrole,2,5-dihydro-1-[(4-methylphenyl)sulfonyl]- Specification

The 1H-Pyrrole,2,5-dihydro-1-[(4-methylphenyl)sulfonyl]- with CAS registry number of 16851-72-2 is also known as 1-(Toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole. The systematic name is 1-(p-Tolylsulfonyl)-2,5-dihydropyrrole. In addition, the formula is C₁₁H₁₃NO₂S and the molecular weight is 223.29.

Physical properties about 1H-Pyrrole,2,5-dihydro-1-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 334; (8)ACD/KOC (pH 7.4): 334; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 60.465 cm³; (14)Molar Volume: 176.609 cm³; (15)Surface Tension: 48.587 dyne/cm; (16)Density: 1.264 g/cm³; (17)Flash Point: 167.994 °C; (18)Enthalpy of Vaporization: 59.917 kJ/mol; (19)Boiling Point: 354.167 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Cc1ccc(cc1)S(=O)(=O)N2CC=CC2
2. InChI: InChI=1/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
3. InChIKey: UNYMIBRUQCUASP-UHFFFAOYAF

Product Name

N-(P-TOLUENESULFONYL)-3-PYRROLINE

1H-Pyrrole,2,5-dihydro-1-[(4-methylphenyl)sulfonyl]- Specification

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