1-(Chloroacetyl)pyrrolidine supplier

Name
2-CHLORO-1-PYRROLIDIN-1-YL-ETHANONE
EINECS 243-658-6
CAS No. 20266-00-6
Article Data60
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point 46-47 °C
Formula C₆H₁₀ClNO
Boiling Point 252.9 °C at 760 mmHg
Molecular Weight 147.605
Flash Point 106.75 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes 22-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Pyrrolidine,1-(chloroacetyl)- (6CI,7CI,8CI,9CI);1-(Chloroacetyl)pyrrolidine;2-Chloro-1-(pyrrolidin-1-yl)ethanone;N-(Chloroacetyl)pyrrolidine;Pyrrolidylcarbonylmethyl chloride;
PSA 20.31000
LogP 0.78550

1-(Chloroacetyl)pyrrolidine Specification

The IUPAC name of 1-(Chloroacetyl)pyrrolidine is 2-chloro-1-pyrrolidin-1-ylethanone. With the CAS registry number 20266-00-6, it is also named as Pyrrolidine, 1-(chloroacetyl)-. The product's category is Acetylhalide. In addition, its molecular formula is C₆H₁₀ClNO and molecular weight is 147.60.

The other characteristics of 1-(Chloroacetyl)pyrrolidine can be summarized as: (1)EINECS: 243-658-6; (2)ACD/LogP: 0.40; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.4; (5)ACD/LogD (pH 7.4): 0.4; (6)ACD/BCF (pH 5.5): 1.18; (7)ACD/BCF (pH 7.4): 1.18; (8)ACD/KOC (pH 5.5): 39.25; (9)ACD/KOC (pH 7.4): 39.25; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 36.06 cm³; (15)Molar Volume: 122.4 cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.205 g/cm³; (18)Flash Point: 106.8 °C; (19)Melting Point: 46-47 °C; (20)Enthalpy of Vaporization: 49.03 kJ/mol; (21)Boiling Point: 252.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCC(=O)N1CCCC1
(2)InChI: InChI=1/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2
(3)InChIKey: AAOSLLBWWRKJIR-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2
(5)Std. InChIKey: AAOSLLBWWRKJIR-UHFFFAOYSA-N

Product Name

2-CHLORO-1-PYRROLIDIN-1-YL-ETHANONE

1-(Chloroacetyl)pyrrolidine Specification

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