3-(4-Chloro-2-methylphenoxy)azetidine
Completing data — refresh the page later to see the latest
Basic information
- CAS
954223-36-0- Standard SMILES
Cc1cc(Cl)ccc1OC1CNC1- InChIKey
ZHFGZSABPZSDQP-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 3-(4-Chloro-2-methylphenoxy)azetidine
- IUPAC
- 3-(4-chloro-2-methylphenoxy)azetidine
- English name
- 3-(4-Chloro-2-methyl-phenoxy)-azetidine
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66
Names & synonyms
3-(4-CHLORO-2-METHYLPHENOXY)AZETIDINE954223-36-0SCHEMBL2298810SCHEMBL14957073DTXSID30647902AKOS012080837SB512313-(4-chloro-2-methyl-phenoxy)azetidineDB-093968CS-0280942G73463EN300-1967333
Show more names
3-(4-Chloro-2-methyl-phenoxy)-azetidineAzetidine, 3-(4-chloro-2-methylphenoxy)-3-(4-Chloro-2-methylphenoxy) azetidine hydrochloride
F687897
Database identifiers
- CAS
954223-36-0- PubChem CID
- 24902306
- DTXSID
DTXSID30647902
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 293.3 · 293.3±40.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.28 · 9.28±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…