3-Acetyl-1-(phenylsulfonyl)pyrrole supplier

Name
3-Acetyl-1-(phenylsulfonyl)pyrrole
EINECS
CAS No. 81453-98-7
Article Data11
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 96-99 °C(lit.)
Formula C₁₂H₁₁NO₃S
Boiling Point 435.7 °C at 760 mmHg
Molecular Weight 249.29
Flash Point 217.3 °C
Transport Information
Appearance beige crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone;3-Acetyl-1-(phenylsulphonyl)-1H-pyrrole;
PSA 64.52000
LogP 3.00850

3-Acetyl-1-(phenylsulfonyl)pyrrole Specification

The cas register number of 3-Acetyl-1-(phenylsulfonyl)pyrrole is 81453-98-7. It also can be called as 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone and the IUPAC Name about this chemical is 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone. It belongs to the following product categories, such as Building Blocks, Heterocyclic Building Blocks, Pyrroles and so on.

Physical properties about 3-Acetyl-1-(phenylsulfonyl)pyrrole are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.9; (5)ACD/BCF (pH 7.4): 11.9; (6)ACD/KOC (pH 5.5): 204.9; (7)ACD/KOC (pH 7.4): 204.9; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 64.52Å²; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 67.12 cm³; (13)Molar Volume: 196.2 cm³; (14)Polarizability: 26.61x10^-24cm³; (15)Surface Tension: 49.8 dyne/cm; (16)Enthalpy of Vaporization: 69.2 kJ/mol; (17)Vapour Pressure: 8.61E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are 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)Canonical SMILES: CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
(3)InChIKey: HTMLKRFQINMFRA-UHFFFAOYSA-N

Product Name

3-Acetyl-1-(phenylsulfonyl)pyrrole

3-Acetyl-1-(phenylsulfonyl)pyrrole Specification

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