1-Acetylpiperidine-4-carbonyl chloride
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Basic information
- CAS
59084-16-1- Standard SMILES
CC(=O)N1CCC(C(=O)Cl)CC1- InChIKey
OHCPVLJEAHBMEG-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO2
- Average molar mass
- 189.64 g/mol
- Monoisotopic mass
- 189.0556563
Names & identifiers
- Preferred name
- 1-Acetylpiperidine-4-carbonyl chloride
- IUPAC
- 1-acetylpiperidine-4-carbonyl chloride
- English name
- 1-ACETYLISONIPECOTOYL CHLORIDE
- Molecular formula
- C8H12ClNO2
- Molecular weight
- 189.64
Names & synonyms
1-Acetylpiperidine-4-carbonyl chloride59084-16-11-acetyl-4-piperidinecarbonyl chlorideEINECS 261-594-7DTXSID70207827RefChem:429037DTXCID20130318261-594-71-Acetylisonipecotoyl chloride1-Acetyl Isonipecotoyl ChlorideMFCD02094017N-acetylisonipecotoyl chloride
Show more names
1-ACETYLISONIPECOTYL CHLORIDE1-acetyl-4-piperidinyl chloride1-ACETYLISONIPECOTOYL CHLORIDE-3N-ACETYLPYRIDINE-4-CARBONYL CHLORIDE1-Acetyl-4-piperidylcarbonyl chlorideN-Acetylpiperidine-4-carbonyl chloride
Acetylisonipecotoyl chloride95037-48-2N-acetylisonipecotyl chlorideN-acetylisonipecotic acid chloride1-acetylisonipecotic acid chloride4-Carboxychloro-N-acetoxypiperidineacetyl-4-piperidinecarbonyl chloride1-Acetyl-4-piperidylcarbonyl chloride; 1-Acetylisonipecotoyl chloride; 1-Acetylpiperidin-4-ylcarbonyl chloride; N-Acetylisonipecotoyl chloride
Database identifiers
- CAS
59084-16-1- PubChem CID
- 100950
- DTXSID
DTXSID70207827- UNII
- M7G94NUC6L
- EC Number
- 261-594-7
- Nikkaji
- J308.612G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 135 · 135-137°C
- Boiling point
- 308 · 308.0±35.0 °C(Predicted)
- Density
- 1.224 · 1.224
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- DMSO (Slightly)
- pka
- -1.59 · -1.59±0.40(Predicted)
- form
- Solid
- color
- Yellow to Pale Orange
- Sensitive
- Moisture Sensitive
- BRN
- 389571 · 389571
- Stability
- Moisture Sensitive
- CAS DataBase Reference
- 59084 · 59084-16-1(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3261
- hs_code
- 2933399990
- risk_code
- 34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesA synthetic intermediate in the preparation of CNS depressants
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
131 records
Compound notes
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