Basic information
- Standard SMILES
CN1CCC(Cl)CC1- InChIKey
MYGXGCCFTPKWIH-UHFFFAOYSA-N- Molecular formula
- C6H12ClN
- Average molar mass
- 133.62 g/mol
- Monoisotopic mass
- 133.06582706
Names & identifiers
- Preferred name
- 4-chloro-N-methylpiperidine
- IUPAC
- 4-chloro-1-methylpiperidine
- English name
- 4-Chloro-N-methylpiperidine
- Molecular formula
- C6H12ClN
- Molecular weight
- 133.62
Names & synonyms
4-Chloro-1-methylpiperidine4-Chloro-N-methylpiperidineN-methyl-4-chloropiperidinePiperidine, 4-chloro-1-methyl-3J2YSE7ZGEEINECS 226-942-4UNII-3J2YSE7ZGEDTXSID90639501-METHYL-4-PIPERIDYL CHLORIDE1-METHYL-4-PIPERIDINYL CHLORIDE4-Chloro-N-methylpiperidine hydrochloride (Salt/Mix)1-Methyl-4-chloropiperidine hydrochloride (Salt/Mix)
Show more names
N-METHYL-4-CHLORO PIPERIDINE4-CHLORO-N-METHYL PIPERIDINEoro-1-methyLN-Methyl-4-chloroN-methyl-4-cloperidineN-Methyl-4-Chloropiperdine4-chloro-1-methyl-piperidinN-Methyl-4-chloropiperideneN-methyl-4-ChIoropiperidine
RefChem:98536DTXCID4041947226-942-4MYGXGCCFTPKWIH-UHFFFAOYSA-N5570-77-41-Methyl-4-chloropiperidine4-chloro-1-methyl-piperidineMFCD00044489
Database identifiers
- CAS
5570-77-4- PubChem CID
- 79342
- DTXSID
DTXSID9063950- UNII
- 3J2YSE7ZGE
- EC Number
- 226-942-4
- Nikkaji
- J215.723C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.9
Physicochemical properties
- Melting point
- 160 · 160-165°C
- Boiling point
- 162 °C · 162°C(lit.)
- Density
- 1.02 · 1.02
- vapor pressure
- 3.493 hPa · 3.493hPa at 25℃
- refractive index
- 1.467 · 1.4670-1.4710
- Flash point
- 48 °C · 48 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Ethanol (Slightly) , Methanol (Slightly)
- form
- clear liquid to slightly cloudy liquid
- pka
- 7.88 · 7.88±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Viscosity
- 19.351 mm2/s · 19.351mm2/s
- Water Solubility
- 1.533 g/L · 1.533g/L at 29℃
- InChI
- 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
- InChIKey
- MYGXGCCFTPKWIH-UHFFFAOYSA-N
- SMILES
- CN1CCC(Cl)CC1
- LogP
- 1.318 at · 1.318 at 25℃
- CAS DataBase Reference
- 5570 · 5570-77-4(CAS DataBase Reference)
- FDA UNII
- 3 J2YSE7ZGE · 3J2YSE7ZGE
- EPA Substance Registry System
- 4 · Piperidine, 4-chloro-1-methyl- (5570-77-4)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- Hazard Codes
- Xi,C
- Risk Statements
- 10 · 10-34-36/38
- Safety Statements
- 22 · 22-24/25-45-36/37/39-26-36-16
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Eye · Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20723
Hazard Classes and CategoriesFlam. Liq. 2 (10%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 29333990
- risk_code
- 10-34-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,C
- safety_code
- 22-24/25-45-36/37/39-26-36-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperidine, 4-chloro-1-methyl-: ACTIVE
Applications
Uses4-Chloro-1-methylpiperidine is a reactant in the synthesis of indole and benzimidazole piperazines as histamine H4 receptor antagonist.
Upstream & downstream products
Upstream raw materials
Downstream products
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