N-(2-Chloroethyl)pyrrolidine hydrochloride supplier

Name
2-Pyrrolidinoethyl chloride hydrochloride
EINECS 230-660-7
CAS No. 7250-67-1
Article Data8
CAS DataBase
Density 0.4[at 20℃]
Solubility Soluble in water, chloroform, methanol, ethanol; slightly soluble in acetone, ethyl ether; insoluble in ethyl acetate, benzene
Melting Point 167-170 °C(lit.)
Formula C₆H₁₂ClN·HCl
Boiling Point 170.5 °C at 760 mmHg
Molecular Weight 170.082
Flash Point 56.9 °C
Transport Information
Appearance white to off-white crystals or crystalline powder
Safety 26-36-37/39
Risk Codes 36/37/38-20/22
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Pyrrolidine,1-(2-chloroethyl)-, hydrochloride (6CI,7CI,8CI,9CI);1-(2-Chloroethyl)pyrrolidine hydrochloride;1-(2-Chloroethyl)pyrrolidinium chloride;2-(1-Pyrrolidino)ethyl chloride hydrochloride;2-(1-Pyrrolidinyl)ethyl chloridehydrochloride;2-Pyrrolidinoethyl chloride hydrochloride;2-Pyrrolidinyl-1-chloroethanehydrochloride;N-(b-Chloroethyl)pyrrolidine hydrochloride;Pyrrolidinoethyl chloride hydrochloride;b-Pyrrolidinoethyl chloride hydrochloride;
PSA 3.24000
LogP 2.06090

N-(2-Chloroethyl)pyrrolidine hydrochloride Specification

The N-(2-Chloroethyl)pyrrolidine hydrochloride, with the CAS registry number 7250-67-1, is also known as 2-Pyrrolidinoethyl chloride hydrochloride. It belongs to the product category of Pyrrole & Pyrrolidine & Pyrroline. Its EINECS number is 230-660-7. This chemical's molecular formula is C₆H₁₂ClN·HCl and molecular weight is 170.08. What's more, its systematic name is 1-(2-Chloroethyl)pyrrolidine hydrochloride (1:1). Its classification codes are: (1)Drug / Therapeutic Agent; (2)Mutation data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is used as pharmaceutical intermediates.

Physical properties of N-(2-Chloroethyl)pyrrolidine hydrochloride are: (1)ACD/LogP: 1.359; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 56.9 °C; (14)Enthalpy of Vaporization: 40.69 kJ/mol; (15)Boiling Point: 170.5 °C at 760 mmHg; (16)Vapour Pressure: 1.47 mmHg at 25°C.

Uses of N-(2-Chloroethyl)pyrrolidine hydrochloride: it can be used to produce 3,5-diphenyl-4-(2-pyrrolidin-1-yl-ethoxy)-1H-pyrazole by heating. It will need reagent K₂CO₃ and solvent acetone with the reaction time of 25 hours. The yield is about 63%.

N-(2-Chloroethyl)pyrrolidine hydrochloride can be used to produce 3,5-diphenyl-4-(2-pyrrolidin-1-yl-ethoxy)-1H-pyrazole by heating

When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.ClCCN1CCCC1
(2)Std. InChI: InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
(3)Std. InChIKey: FSNGFFWICFYWQC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	375mg/kg (375mg/kg)		Chemical and Pharmaceutical Bulletin. Vol. 10, Pg. 390, 1962.

Product Name

2-Pyrrolidinoethyl chloride hydrochloride

N-(2-Chloroethyl)pyrrolidine hydrochloride Specification

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