4-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
Basic information
- CAS
1153102-64-7- Standard SMILES
Brc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1- InChIKey
ZLTOWNBGCDROJM-UHFFFAOYSA-N- Molecular formula
- C14H16BrN3
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.05276
Names & identifiers
- Preferred name
- 4-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
- IUPAC
- 4-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
- English name
- Piperidine, 4-[5-(4-bromophenyl)-1H-imidazol-2-yl
- Molecular formula
- C14H16BrN3
- Molecular weight
- 306.2
Names & synonyms
1153102-64-74-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine4-(5-(4-Bromophenyl)-1H-imidazol-2-yl)piperidineRefChem:514628845-818-6EN300-7472599Piperidine, 4-[5-(4-bromophenyl)-1H-imidazol-2-yl
Database identifiers
- CAS
1153102-64-7- PubChem CID
- 43650776
- EC Number
- 845-818-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 530.011 · 530.011±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.086 · 13.086±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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