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Name |
1H-Pyrrole,1-(2-chloroethyl)- |
EINECS | N/A |
CAS No. | 77200-24-9 | Density | 1.077 g/cm3 |
PSA | 4.93000 | LogP | 1.72690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8ClN | Boiling Point | 184.818 °C at 760 mmHg |
Molecular Weight | 129.59 | Flash Point | 65.576 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Chloroethyl)-1H-pyrrole; |
Article Data | 6 |
The 1H-Pyrrole, 1-(2-chloroethyl)-, with the CAS registry number 77200-24-9, is also known as 1-(2-Chloroethyl)pyrrole. This chemical's molecular formula is C6H8ClN and molecular weight is 129.59. What's more, its systematic name is 1-(2-Chloroethyl)-1H-pyrrole. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection.
Physical properties about 1H-Pyrrole, 1-(2-chloroethyl)- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 210; (8)ACD/KOC (pH 7.4): 210; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 36.201 cm3; (15)Molar Volume: 120.337 cm3; (16)Polarizability: 14.351×10-24 cm3; (17)Surface Tension: 35.71 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 65.576 °C; (20)Enthalpy of Vaporization: 40.379 kJ/mol; (21)Boiling Point: 184.818 °C at 760 mmHg; (22)Vapour Pressure: 0.985 mmHg at 25 °C.
Preparation of 1H-Pyrrole, 1-(2-chloroethyl)-: this chemical is prepared by reaction of 1, 2-Dichloro-ethane with Pyrrole. This reaction needs reagents Bu4NBr, KOH, K2CO3. The reaction time is 4.5 hours with reaction temperature of 45-50 °C. The yield is about 39 %.
Uses of 1H-Pyrrole, 1-(2-chloroethyl)-: it is used to produce other chemicals. For example, it is used to produce 1-Vinyl-pyrrole by heating. The reaction needs reagents KOH and Hydroquinone. Meanwhile, it needs solvent Ethanol. The reaction time is 1 hour. The yield is about 41 %.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCn1cccc1
(2) InChI: InChI=1/C6H8ClN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
(3) InChIKey: CZYATLREQUGMIQ-UHFFFAOYAR