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1H-Pyrrole,1-(2-chloroethyl)-

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Name

1H-Pyrrole,1-(2-chloroethyl)-

EINECS
CAS No. 77200-24-9 Density 1.077 g/cm3
Solubility Melting Point
Formula C6H8ClN Boiling Point 184.818 °C at 760 mmHg
Molecular Weight 129.59 Flash Point 65.576 °C
Transport Information Appearance
Safety 36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 77200-24-9 (1H-Pyrrole,1-(2-chloroethyl)-) Hazard Symbols
Synonyms

1-(2-Chloroethyl)-1H-pyrrole;

 

1H-Pyrrole,1-(2-chloroethyl)- Specification

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 %.

The 1H-Pyrrole, 1-(2-chloroethyl)- can be obtained by 1, 2-Dichloro-ethane and Pyrrole.

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 %.

1H-Pyrrole, 1-(2-chloroethyl)- can be used to produce 1-Vinyl-pyrrole.

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

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