N,N-Diallyl-2,2,2-trifluoroacetamide

HCID 246339

Notes Reactions

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Basic information

CAS: 14618-49-6
Standard SMILES: C=CCN(CC=C)C(=O)C(F)(F)F
InChIKey: YLFAOCVUPKJNHP-UHFFFAOYSA-N
Molecular formula: C8H10F3NO
Average molar mass: 193.17 g/mol
Monoisotopic mass: 193.07144843

Names & identifiers

Preferred name: N,N-Diallyl-2,2,2-trifluoroacetamide
IUPAC: 2,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide
English name: N,N-Diallyl-2,2,2-trifluoroacetamide
Molecular formula: C8H10F3NO
Molecular weight: 193.17

Names & synonyms

N,N-Diallyl-2,2,2-trifluoroacetamideDTXSID40289115RefChem:822202DTXCID40240261625-441-114618-49-62,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide2,2,2-Trifluoro-N,N-di-2-propen-1-ylacetamideNSC 59282N,N-DiallyltrifluoroacetamideNSC592822,2,2-trifluoro-n,n-di(prop-2-en-1-yl)acetamide

Show more names

Acetamide, 2,2,2-trifluoro-N,N-di-2-propen-1-yl-

SCHEMBL1231260NSC-59282AKOS003863390N,N-Diallyl-2,2,2-trifluoro-acetamideST510384722,2,2-trifluoro-N,N-diprop-2-enylacetamideN,N-Diallyl-2,2,2-trifluoroacetamide, 98%G86052

Database identifiers

CAS: 14618-49-6
PubChem CID: 246339
DTXSID: DTXSID40289115
EC Number: 625-441-1
Nikkaji: J698.494K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 67 · 67-68.5 °C/13 mmHg (lit.)
Density: 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.413(lit.)
Flash point: 148 °F · 148 °F
InChI: 1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2
InChIKey: YLFAOCVUPKJNHP-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)N(CC=C)CC=C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesN,N-Diallyl-2,2,2-trifluoroacetamide may be used as a substrate for ring-closing metathesis (RCM) reaction.

General DescriptionN,N-Diallyl-2,2,2-trifluoroacetamide (DAF) is an organic building block used in chemical synthesis. The capability of silica immobilized Hoveyda-Grubbs type catalysts to facilitate the ring-closing metathesis of (-)-β-citronellene and DAF has been investigated. Its density and refractive index at 25°C is 1.1300g/cm3 and 1.4130 respectively.