Basic information
- CAS
63142-83-6- Standard SMILES
O=C(C(Cl)Cl)N1CC2CCC(CC2)C1- InChIKey
MGIDGMIMHMSHHR-UHFFFAOYSA-N- Molecular formula
- C10H15Cl2NO
- Average molar mass
- 236.13 g/mol
- Monoisotopic mass
- 235.0530695
Names & identifiers
- Preferred name
- Mls002694903
- IUPAC
- 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2,2-dichloroethanone
- English name
- 3-(2,2-Dichloroacetyl)-3-azabicyclo(3.2.2)nonane
- Molecular formula
- C10H15Cl2NO
- Molecular weight
- 236.14
Names & synonyms
63142-83-6MLS002694903DTXSID00293379RefChem:357207DTXCID10244519Ethanone,1-(3-azabicyclo[3.2.2]non-3-yl)-2,2-dichloro-HMS3094O11NSC889983-(dichloroacetyl)-3-azabicyclo[3.2.2]nonaneNCIOpen2_005452CHEMBL1715440NSC-88998
Show more names
3-(2,2-Dichloroacetyl)-3-azabicyclo(3.2.2)nonaneEthanone, 1-(3-azabicyclo[3.2.2]non-3-yl)-2,2-dichloro-
AKOS024337332SMR0015608181-(3-Azabicyclo[3.2.2]nonan-3-yl)-2,2-dichloroethan-1-one
Database identifiers
- CAS
63142-83-6- PubChem CID
- 259263
- DTXSID
DTXSID00293379- ChEMBL
CHEMBL1715440- EC Number
- 668-277-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 332.6 · 332.6±32.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- -0.76 · -0.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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