CAS 657-36-3 4-(Trifluoromethyl)piperidine (HCID 136469)

Names & identifiers

Preferred name: 4-(Trifluoromethyl)piperidine
IUPAC: 4-(trifluoromethyl)piperidine
English name: 4-(Trifluoromethyl)piperidine
Molecular formula: C6H10F3N
Molecular weight: 153.15

Names & synonyms

4-(Trifluoromethyl)piperidineRefChem:517175808-182-0657-36-34-Trifluoromethylpiperidine4-Trifluoromethyl-piperidinePiperidine, 4-(trifluoromethyl)-MFCD00102068SCHEMBL250782FD2088CS-W002374AC-26709

Show more names

4-TrifluorMethylpiperidine4-TrifluoroMethylpiperidine HCI4-(Trifluoromethyl)piperidine 97%

SY0256514-(Trifluoromethyl)piperidine, AldrichCPRT3081EN300-2497934-trifluoromethEBD23253A8901FT-0616940

Database identifiers

CAS: 657-36-3
PubChem CID: 136469
DTXSID: DTXSID20215917
EC Number: 808-182-0
Nikkaji: J3.637.199D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 152 · 152-154°C
Boiling point: 126 · 126-129°C
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
refractive index: 1.391 to · 1.3910 to 1.3950
storage temp.: 2 · 2-8°C(protect from light)
form: Liquid
pka: 9.62 · 9.62±0.10(Predicted)
color: Colorless
InChI: InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKey: RDRQUUWCJTYHCT-UHFFFAOYSA-N
SMILES: N1CCC(C(F)(F)F)CC1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: N
Risk Statements: 36 · 36/37/38-50
Safety Statements: 26 · 26-36/37/39-61
RIDADR: 2735 · 2735
WGK Germany: 3 · WGK 3
HazardClass: 8 · 8
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (80%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, 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 5 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 CategoriesFlam. Liq. 3 (80%)

Safety data

wgk: WGK 3
ridadr: 2735
hs_code: 2933399990
risk_code: 36/37/38-50
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: N
safety_code: 26-36/37/39-61
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: Ⅲ
Hazard statements: H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a