3-(3-Chlorophenyl)pyrrolidine
Basic information
- CAS
914299-59-5- Standard SMILES
Clc1cccc(C2CCNC2)c1- InChIKey
FQSUFJMIMCTWRI-UHFFFAOYSA-N- Molecular formula
- C10H12ClN
- Average molar mass
- 181.66 g/mol
- Monoisotopic mass
- 181.0658271
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)pyrrolidine
- IUPAC
- 3-(3-chlorophenyl)pyrrolidine
- English name
- 3-(3-chlorophenyl)pyrrolidine(SALTDATA: FREE)
- Molecular formula
- C10H12ClN
- Molecular weight
- 181.66
Names & synonyms
3-(3-chlorophenyl)pyrrolidine914299-59-5DTXSID50592920RefChem:274148DTXCID00543684885-809-4(R)-3-(3-Chloro-phenyl)-pyrrolidineMFCD090276111335686-78-63-(3-Chloro-phenyl)-pyrrolidineSCHEMBL1367733SCHEMBL2410760
Show more names
Pyrrolidine, 3-(3-chlorophenyl)-3-(3-chlorophenyl)pyrrolidine(SALTDATA: FREE)methyl (R)-2-amino-3-(4-aminophenyl)propanoate
SCHEMBL8639724SCHEMBL28010973PLB29959AKOS011639672AB49213SB32882BS-38625SY262033
Database identifiers
- CAS
914299-59-5- PubChem CID
- 18337166
- DTXSID
DTXSID50592920- EC Number
- 885-809-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 274.7 · 274.7±33.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.96 · 9.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses3-(3-Chlorophenyl)pyrrolidine is used as a reactant in the preparation of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase.
Suppliers
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Related reactions
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Compound notes
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