N-Methylbis(trifluoroacetyl)imide

HCID 69635
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Basic information

CAS
685-27-8
Standard SMILES
CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIKey
AWGBWLXGUPTXHF-UHFFFAOYSA-N
Molecular formula
C5H3F6NO2
Average molar mass
223.07 g/mol
Monoisotopic mass
223.00679731

Names & identifiers

Preferred name
N-Methylbis(trifluoroacetyl)imide
IUPAC
2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
English name
N-Methyl-bis(trifluoroacetamide)
Molecular formula
C5H3F6NO2
Molecular weight
223.07

Names & synonyms

685-27-8N-Methyl-bis(trifluoroacetamide)2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamideAcetamide, 2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)-N-Methylbis(trifluoroacetyl)imideDTXSID00218623RefChem:830690DTXCID50141114211-680-5MBTFAN-Methylbis(trifluoroacetamide)2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
Show more names
N-Methylbis(Tr[Trifluoroacylating Agent]Florists Sendranthema ExtractN-MethylbistrifluororacetamideN-Methylbis(trifluoroacetyl)amineN-METHYL-N-BIS(TRIFLUOROACETAMIDE)N-Methylbis(trifluoroacetamide)98%
N,N-Bis(trifluoroacetyl)methylamineMFCD00000412n-methyl-bis-trifluoroacetamideAcetamide, 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)-C5H3F6NO2EINECS 211-680-5R7BG7A7NBBSCHEMBL9004789

Database identifiers

CAS
685-27-8
PubChem CID
69635
DTXSID
DTXSID00218623
UNII
R7BG7A7NBB
EC Number
211-680-5
Nikkaji
J149.964E

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
0
Heavy atoms
14

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point
121 · 121-122 °C(lit.)
Density
1.547 g/mL · 1.547 g/mL at 25 °C
refractive index
20 · n20/D 1.346(lit.)
Flash point
42 °C · 42 °C
storage temp.
2 · 2-8°C
pka
-3.38 · -3.38±0.70(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Fluoroacetamide. See Chloroacetamide.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2920 8/PG 2
hs_code
29241990
risk_code
10-34-44

Chemistry & industry

Applications

UsesReagent for introducing trifluoroacetyl group.

Upstream & downstream products

Downstream products

Suppliers73 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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