1-Acetylpiperidine-4-carbonyl chloride

HCID 100950CAS 59084-16-1
Substructure searchFind similar structures

Basic information

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
95037-48-21-Acetyl-4-piperidylcarbonyl chloride; 1-Acetylisonipecotoyl chloride; 1-Acetylpiperidin-4-ylcarbonyl chloride; N-Acetylisonipecotoyl chloride1-Acetyl-4-piperidinecarbonyl Chloride; 1-Acetyl-4-piperidinecarbonyl chloride; 1-Acetyl-4-piperidylcarbonyl chloride; 1-Acetylisonipecotoyl chloride; 1-Acetylpiperidin-4-ylcarbonyl chloride; N-Acetylisonipecotoyl chlorideAcetylisonipecotoyl chloride1acetylisonipecotoyl chlorideN-acetylisonipecotyl chlorideSCHEMBL229158N-Acetyl isonipecotoyl chloride

Database identifiers

CAS
59084-16-1
PubChem CID
100950
DTXSID
DTXSID70207827
EC Number
261-594-7
Nikkaji
J308.612G

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications

UsesA synthetic intermediate in the preparation of CNS depressants

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Related reactions

131 records
New reaction record

Linked notes

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