N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine

HCID 136149CAS 309-88-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)C(F)(F)C(F)C(F)(F)F
InChIKey
BNTFCVMJHBNJAR-UHFFFAOYSA-N
Molecular formula
C7H11F6N
Average molar mass
223.16 g/mol
Monoisotopic mass
223.07956867

Names & identifiers

Preferred name
N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
IUPAC
N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
English name
N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
Molecular formula
C7H11F6N
Molecular weight
223.16

Names & synonyms

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamineRefChem:822238628-698-8309-88-6Ishikawa's ReagentN,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-aminediethyl(1,1,2,3,3,3-hexafluoropropyl)amine1-Propanamine, N,N-diethyl-1,1,2,3,3,3-hexafluoro-N,N-Diethyl 1,1,2,3,3,3-hexafluoropropylamineN,N-diethyl-1,1,2,3,3,3-hexafluoro-1-propanamineMFCD00054683MEC-81
Show more names
IshikawaIshikawa ReagentISHIIshikawasUNII:N4Y8BIM7UDSHIKAWA'S REAGENTIshikawa’s Reagent
N,N-Diethyl-2H-perfluoropropanamineN4Y8BIM7UDN,N-Diethyl-1,1,2,3,3,3-hexafluoro-1-propylamineN-(1,1,2,3,3,3-hexafluoropropyl)diethylamineN,N-diethyl-1,1,2,3,3,3- hexafluoropropylamineISHIKAWA'S REAGANTUNII-N4Y8BIM7UD1,1,2,3,3,3-HEXAFLUORO-1-DIETHYLAMINOPROPANE

Database identifiers

CAS
309-88-6
PubChem CID
136149
DTXSID
DTXSID20880124
UNII
N4Y8BIM7UD
EC Number
628-698-8
Nikkaji
J254.822D

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

Boiling point
56 · 56-57 °C (lit.)
Density
1.23 g/mL · 1.230 g/mL at 25 °C (lit.)
refractive index
1.346 · 1.3460
Flash point
56 · 56-57°C/58mm
storage temp.
Flammables area
solubility
soluble in Acetone,Ether

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (89.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (89.6%)

Safety data

PPE
Faceshields, Gloves, Goggles
wgk
3
ridadr
3267
hs_code
29211999
risk_code
10-34
Signal word
Danger

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 4 items

UsesDemonstrates utility in fluorination.7

UsesReactant for: Friedel-Crafts type arylation of hydrofluorocarbonsMicrobial hydroxylation of antibioticsElectrochemical fluorination of trialkylamines and tetraalkylammonium saltsFluorination of pyrethroidesReactant for synthesis of: γ-Hydroxy-α-fluoro-α-trifluoromethylcarboxamideFlorfenicol and thiamphenicol

UsesFluorinating agent.

General DescriptionGC analysis includes Et2NCF=CFCF3 (two isomers), both of which are active fluorinating agents.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州佳德医药科技有限公司18006124028

Related reactions

31 records
New reaction record

Linked notes

Loading…