1-(2-Chloroethyl)pyrrolidine

HCID 81669
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Basic information

CAS
5050-41-9
Standard SMILES
ClCCN1CCCC1
InChIKey
RMGFLMXDCGQKPS-UHFFFAOYSA-N
Molecular formula
C6H12ClN
Average molar mass
133.62 g/mol
Monoisotopic mass
133.06582706

Names & identifiers

Preferred name
1-(2-Chloroethyl)pyrrolidine
IUPAC
1-(2-chloroethyl)pyrrolidine
English name
1-(2-CHLOROETHYL)-PYRROLIDINE
Molecular formula
C6H12ClN
Molecular weight
133.62

Names & synonyms

1-(2-Chloroethyl)pyrrolidine5050-41-9Pyrrolidine, 1-(2-chloroethyl)-N-(2-Chloroethyl)pyrrolidineDTXSID4043850UNII-YV1Z5283LWYV1Z5283LWJ210K2-(pyrrolidin-1-yl)ethyl chlorideDTXCID2023850.BETA.-PYRROLIDINOETHYL CHLORIDERefChem:74117
Show more names
BETA-PYRROLIDINOETHYL CHLORIDE881-619-0RMGFLMXDCGQKPS-UHFFFAOYSA-N1-(2-Chloroethyl)-PyrrolidineMFCD00044568N-(2-chloroethyl)-pyrrolidinechloroethylpyrrolidine2-chloroethylpyrrolidine

Database identifiers

CAS
5050-41-9
PubChem CID
81669
DTXSID
DTXSID4043850
ChEMBL
CHEMBL3185898
UNII
YV1Z5283LW
EC Number
881-619-0
Nikkaji
J210K

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

Boiling point
90 °C · 90 °C(Press: 56 Torr)
Density
1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
solid
pka
9.37 · 9.37±0.20(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk
WGK 3
risk_code
25
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T
safety_code
45

Chemistry & industry

Suppliers62 total

荟达医药科技(上海)有限公司15173502222 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

266 records
New reaction record

Compound notes

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