Acetamide, 2,2,2-trifluoro-N-methyl- (HCID 69948)

Names & identifiers

Preferred name: Acetamide, 2,2,2-trifluoro-N-methyl-
IUPAC: 2,2,2-trifluoro-N-methylacetamide
English name: N-Methyl-2,2,2-trifluoroacetamide
Molecular formula: C3H4F3NO
Molecular weight: 127.07

Names & synonyms

815-06-5N-MethyltrifluoroacetamideAcetamide, 2,2,2-trifluoro-N-methyl-EINECS 212-417-7DTXSID6061153RefChem:108795DTXCID9048221IQNHBUQSOSYAJU-UHFFFAOYSA-NN-Methyl-2,2,2-trifluoroacetamide2,2,2-Trifluoro-N-methylacetamideMFCD000096702,2,2-trifluoro-N-methyl-acetamide

Show more names

TIMTEC-BB SBB008211N-Methyl-2,2,2-triflN-Methyltrifluoroacetamide>N-Methyltrifluoroacetamide 98%N-Methyltrifluoroacetamide,98%2,2,2-trifluoro-n-methyl-acetamid

2,2,2-Trifluoro-N-methylacetamide;methyltrifluoroacetamideN-methyl-trifluoroacetamideN-methyltrifluoro-acetamideSCHEMBL312534SCHEMBL1771727SCHEMBL3952285N-Methyltrifluoroacetamide, 98%

Database identifiers

CAS: 815-06-5
PubChem CID: 69948
DTXSID: DTXSID6061153
EC Number: 212-417-7
Nikkaji: J108.776B

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 49 · 49-51 °C(lit.)
Boiling point: 156 · 156-157 °C(lit.)
Density: 1.3215 · 1.3215 (estimate)
Flash point: 165 °F · 165 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 11.54 · 11.54±0.46(Predicted)
form: powder to crystal
color: White to Almost white
Sensitive: Hygroscopic
BRN: 1703392 · 1703392
InChI: InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKey: IQNHBUQSOSYAJU-UHFFFAOYSA-N
SMILES: C(NC)(=O)C(F)(F)F
CAS DataBase Reference: 815 · 815-06-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5)
EPA Substance Registry System: 2 · Acetamide, 2,2,2-trifluoro-N-methyl- (815-06-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-21
Hazard Note: Irritant/Hygroscopic
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29241990 · 29241990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

Safety data

F: 3-10-21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29241990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant/Hygroscopic
safety_code: 26-36-37/39
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H315-H319
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, 2,2,2-trifluoro-N-methyl-: INACTIVE

Applications · 2 items

UsesN-Methyltrifluoroacetamide is a useful synthetic intermediate. It is used to prepare electrophilic 11b-aryl derivs. of estradiol as steroidal affinity labels of the estrogen receptor a. It is also used to synthesize amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin as antiviral agent.

General DescriptionThe high-resolution proton and fluorine resonance spectra of N-methyltrifluoroacetamide in tetrahydrofuran and acetone was studied.