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69624-11-9

Basic Information
CAS No.: 69624-11-9
Name: 3-Chloropyrrole
Article Data: 3
Molecular Structure:
Molecular Structure of 69624-11-9 (3-Chloropyrrole)
Formula: C4H4ClN
Molecular Weight: 101.535
Synonyms: 3-Chloro-1H-pyrrole;3-Chloropyrrole;
Density: 1.274 g/cm3
Boiling Point: 181.225 °C at 760 mmHg
Flash Point: 79.106 °C
PSA: 15.79000
LogP: 1.66810
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    3-CHLOROPYRROLEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3-chloro-1H-Pyrrole-2-carboxylic acid

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Specification

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