Basic information
- CAS
946681-69-2- Standard SMILES
Clc1ccc(Cl)c(OC2CCNC2)c1- InChIKey
OUXHUSFDHKWOIX-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2NO
- Average molar mass
- 232.1 g/mol
- Monoisotopic mass
- 231.0217694
Names & identifiers
- Preferred name
- 3-(2,5-Dichlorophenoxy)pyrrolidine
- IUPAC
- 3-(2,5-dichlorophenoxy)pyrrolidine
- English name
- 3-(2,5-Dichlorophenoxy)pyrrolidine
- Molecular formula
- C10H11Cl2NO
- Molecular weight
- 232.11
Names & synonyms
3-(2,5-DICHLOROPHENOXY)PYRROLIDINE946681-69-2DTXSID301296170AKOS011613090CS-0299910EN300-1968839Pyrrolidine, 3-(2,5-dichlorophenoxy)-
Database identifiers
- CAS
946681-69-2- PubChem CID
- 45075481
- DTXSID
DTXSID301296170
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 323.4 · 323.4±42.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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