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Name |
1H-Pyrrole, 3-chloro- |
EINECS | N/A |
CAS No. | 69624-11-9 | Density | 1.274 g/cm3 |
PSA | 15.79000 | LogP | 1.66810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4ClN | Boiling Point | 181.225 °C at 760 mmHg |
Molecular Weight | 101.535 | Flash Point | 79.106 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-1H-pyrrole;3-Chloropyrrole; |
Article Data | 3 |
The CAS register number of 1H-Pyrrole, 3-chloro- is 69624-11-9. It also can be called as 3-Chloropyrrole and the systematic name about this chemical is 3-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, 3-chloro- are: (1)ACD/LogP: 1.51; (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: Clc1ccnc1
(2)InChI: InChI=1/C4H4ClN/c5-4-1-2-6-3-4/h1-3,6H
(3)InChIKey: UUUOHRSINXUJKX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H4ClN/c5-4-1-2-6-3-4/h1-3,6H
(5)Std. InChIKey: UUUOHRSINXUJKX-UHFFFAOYSA-N