2H-Pyrrole,5-(4-chlorophenyl)-3,4-dihydro- supplier

Name
5-(4-CHLORO-PHENYL)-3,4-DIHYDRO-2H-PYRROLE
EINECS
CAS No. 22217-78-3
Article Data11
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀ClN
Boiling Point 250.7 °C at 760 mmHg
Molecular Weight 179.649
Flash Point 105.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole;
PSA 12.36000
LogP 2.35850

2H-Pyrrole,5-(4-chlorophenyl)-3,4-dihydro- Specification

The 2H-Pyrrole,5-(4-chlorophenyl)-3,4-dihydro-, with the CAS registry number of 22217-78-3, is also known as 5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole. Its molecular formula is C₁₀H₁₀ClN and molecular weight is 179.6461. What's more, its systematic name is 2-(4-Chlorophenyl)-4,5-dihydro-3H-pyrrole.

Physical properties about the 2H-Pyrrole,5-(4-chlorophenyl)-3,4-dihydro- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.45; (7)ACD/KOC (pH 5.5): 4.01; (8)ACD/KOC (pH 7.4): 87.02; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 51.18 cm³; (15)Molar Volume: 150.4 cm³; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.19 g/cm³; (18)Flash Point: 105.4 °C; (19)Enthalpy of Vaporization: 46.82 kJ/mol; (20)Boiling Point: 250.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0339 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1C2=NCCC2)Cl
(2) InChI: InChI=1/C10H10ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6H,1-2,7H2
(3) InChIKey: RMQRHIVCPGFNHY-UHFFFAOYAH

Product Name

5-(4-CHLORO-PHENYL)-3,4-DIHYDRO-2H-PYRROLE

2H-Pyrrole,5-(4-chlorophenyl)-3,4-dihydro- Specification

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