3-Chloro-6-(1-piperidinyl)pyridazine
Basic information
- CAS
1722-11-8- Standard SMILES
Clc1ccc(N2CCCCC2)nn1- InChIKey
LCZPIRFDMBEGAZ-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0719751
Names & identifiers
- Preferred name
- 3-Chloro-6-(1-piperidinyl)pyridazine
- IUPAC
- 3-chloro-6-piperidin-1-ylpyridazine
- English name
- 1-(6-Chloro-pyridazino-3-yl)piperidine
- Molecular formula
- C9H12ClN3
- Molecular weight
- 197.66
Names & synonyms
3-Chloro-6-(1-piperidinyl)pyridazineRefChem:500237664-241-93-chloro-6-(piperidin-1-yl)pyridazine1722-11-81-(6-chloro-pyridazino-3-yl)piperidine3-Chloro-6-piperidin-1-yl-pyridazine3-chloro-6-piperidin-1-ylpyridazineMFCD005745723-chloro-6-(1-piperidyl)pyridazinePyridazine, 3-chloro-6-(1-piperidinyl)-3-chloro-6-piperidylpyridazine
Show more names
3-Chloro-6-piperidinopyridazine1-(6-Chloro-pyridazino-3-yl)piperidine ISO 9001：2015 REACH
CBChromo1_000140CBDivE_009988SCHEMBL1849545SCHEMBL2004226DTXSID30339754LCZPIRFDMBEGAZ-UHFFFAOYSA-NHMS1625G06HMS5092L20
Database identifiers
- CAS
1722-11-8- PubChem CID
- 558392
- DTXSID
DTXSID30339754- EC Number
- 664-241-9
- Nikkaji
- J2.589.864H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 80 · 80~82℃
- Boiling point
- 388.6 · 388.6±27.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.62 · 3.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H317
- Precautionary statements
- 501 · P501-P261-P272-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H317
- Precautionary statements
- P501-P261-P272-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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