2-Chloro-3-piperidino-1,4-naphthoquinone
Basic information
- CAS
1221-13-2- Standard SMILES
O=C1C(Cl)=C(N2CCCCC2)C(=O)c2ccccc21- InChIKey
DVDCCKDSJKCKSV-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0713064
Names & identifiers
- Preferred name
- 2-Chloro-3-piperidino-1,4-naphthoquinone
- IUPAC
- 2-chloro-3-piperidin-1-ylnaphthalene-1,4-dione
- English name
- 2-Chloro-3-piperidinonaphthoquinone
- Molecular formula
- C15H14ClNO2
- Molecular weight
- 275.73
Names & synonyms
1221-13-22-Chloro-3-piperidino-1,4-naphthoquinoneRefChem:468742666-092-52-chloro-3-(piperidin-1-yl)naphthalene-1,4-dione2-chloro-3-piperidinonaphthoquinone2-chloro-3-piperidin-1-ylnaphthalene-1,4-dione2-chloro-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dioneMFCD00029188CHEMBL1165050SCHEMBL10446114STK338102
Show more names
2-Chloro-3-piperidin-1-yl-[1,4]naphthoquinone1,4-Naphthalenedione, 2-chloro-3-(1-piperidinyl)-
AKOS0005675302-chloro-3-piperidylnaphthalene-1,4-dioneCS-0313299ST500767962-Chloro-3-(1-piperidinyl)-1,4-naphthoquinone11T-0654F0862-0531
Database identifiers
- CAS
1221-13-2- PubChem CID
- 707759
- ChEMBL
CHEMBL1165050- EC Number
- 666-092-5
- Nikkaji
- J420.810B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 383.3 · 383.3±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -0.05 · -0.05±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H335-H319-H315-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933399990 · 2933399990
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H335-H319-H315-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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