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CAS No.: | 56454-22-9 |
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Name: | 2-Chloropyrrole |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C4H4ClN |
Molecular Weight: | 101.535 |
Synonyms: | Pyrrole,2-chloro- (1CI);2-Chloropyrrole;2-chloro-1H-pyrrole; |
Density: | 1.274 g/cm3 |
Melting Point: | 79-81 °C |
Boiling Point: | 181.225 °C at 760 mmHg |
Flash Point: | 79.106 °C |
PSA: | 15.79000 |
LogP: | 1.66810 |
The CAS register number of 1H-Pyrrole, 2-chloro- is 56454-22-9. It also can be called as 2-Chloropyrrole and the systematic name about this chemical is 2-chloro-1H-pyrrole. The molecular formula about this chemical is C4H4ClN and the molecular weight is 101.5343. It belongs to the Benzenes.
Physical properties about 1H-Pyrrole, 2-chloro- are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 128; (7)ACD/KOC (pH 7.4): 128; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 15.79Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 25.581 cm3; (13)Molar Volume: 79.707 cm3; (14)Polarizability: 10.141x10-24cm3; (15)Surface Tension: 41.865 dyne/cm; (16)Enthalpy of Vaporization: 40.037 kJ/mol; (17)Boiling Point: 181.225 °C at 760 mmHg; (18)Vapour Pressure: 1.17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccn1
(2)InChI: InChI=1/C4H4ClN/c5-4-2-1-3-6-4/h1-3,6H
(3)InChIKey: PLGXRTUGMZEVII-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H4ClN/c5-4-2-1-3-6-4/h1-3,6H
(5)Std. InChIKey: PLGXRTUGMZEVII-UHFFFAOYSA-N