3,3,3-Trifluoropropanoyl chloride supplier

Name
3,3,3-TRIFLUOROPROPIONYL CHLORIDE
EINECS
CAS No. 41463-83-6
Article Data22
CAS DataBase
Density 1.423 g/cm³
Solubility
Melting Point
Formula C₃H₂ClF₃O
Boiling Point 48.369 °C at 760 mmHg
Molecular Weight 146.496
Flash Point -16.946 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C, Xi
Synonyms 3,3,3-Trifluoropropionyl chloride;Trifluoromethylacetyl chloride;
PSA 17.07000
LogP 1.70420

Synthetic route

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride at 65℃; Cooling with ice;	99%
With thionyl chloride; N,N-dimethyl-formamide at 70℃; for 4h;	72%
With Phthaloyl dichloride for 3h; Heating;	69%

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); chlorine In 2,4-dichloro-benzotrifluoride at 50℃; for 2.5h; Product distribution / selectivity;	A 62.5% B n/a C n/a

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

Conditions

Conditions	Yield
With trichloroisocyanuric acid In 2,4-dichloro-benzotrifluoride at 50℃; for 2.25h; Product distribution / selectivity;	A 51% B n/a

: 460-40-2
3,3,3-trifluoropropanal

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

Conditions

Conditions	Yield
With chlorine at 20℃; for 4h; Neat (no solvent); UV-irradiation; chemoselective reaction;	39%

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

C: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride; dibenzoyl peroxide In water; 1,2-dichloro-benzene at 50℃; for 2.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

E: 82107-24-2
2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions

Conditions	Yield
With chlorine at 50℃; for 4h; Product distribution / selectivity;
With sulfuryl dichloride; dibenzoyl peroxide In water at 50℃; for 2.08333h; Product distribution / selectivity;
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In 2,4-dichloro-benzotrifluoride at 50℃; for 2.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride; dibenzoyl peroxide In 2,4-dichloro-benzotrifluoride; water at 50℃; for 2.08333h; Product distribution / selectivity;
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In 2,4-dichloro-benzotrifluoride at 50 - 65℃; for 2h; Product distribution / selectivity;
With trichloroisocyanuric acid In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

C: 82107-24-2
2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 82107-24-2
2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In toluene at 50℃; for 2.08333h; Product distribution / selectivity;

...Expand

: bis(1,1-dichloro-3,3,3-trifluoropropyl) ether

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

Conditions

Conditions	Yield
With sulfuric acid In acetonitrile at 50℃; for 2h;

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1403598-32-2
4-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-2-hydrazinopyridine-3-carbonitrile

: 1403598-33-3
N'-{3-cyano-4-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-pyridin-2-yl}-3,3,3-trifluoropropanehydrazide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	100%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 5'-bromo-3'H-spiro[azetidine-3,1'-isobenzofuran] hydrochloride

: 1-(6-bromospiro[1H-isobenzofuran-3,3'-azetidine]-1'-yl)-3,3,3-trifluoropropan-1-one

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 60℃; for 3h; Reagent/catalyst; Solvent; Temperature;	100%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1254981-22-0
(3'-chloro-4-fluoro-4-phenyl-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-2'-yl)hydrazine

: 1254981-23-1
N'-[3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-yl]-3,3,3-trifluoropropanohydrazide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 1h;	99%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: trans-N-(4-aminophenyl)-2-chloro-5-(2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamido)benzamide hydrochloride

: trans-2-chloro-5-(2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamido)-N-(4-(3,3,3-trifluoropropanamido)phenyl)benzamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	97%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: C46H50N4O10S

: C49H51F3N4O11S

Conditions

Conditions	Yield
With dmap In pyridine at 0 - 60℃;	95.1%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1254981-56-0
[3-chloro-4-(3,3-dimethyl-4-phenyl-piperazin-1-yl)-pyridin-2-yl]-hydrazine

: 1254981-57-1
N'-[3-chloro-4-(3,3-dimethyl-4-phenyl-piperazin-1-yl)pyridin-2-yl]-3,3,3-trifluoropropanohydrazide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	92%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1193-02-8
4-aminotiophenol

: 936548-86-6
S-4-(3,3,3-trifluoropropanamido)phenyl 3,3,3-trifluoropropanethioate

Conditions

Conditions	Yield
With potassium carbonate In water; ethyl acetate at 0 - 20℃;	87.2%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1519048-57-7
4-chloro-5-(4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl)-3-hydrazinylpyridazine

: 1519048-65-7
N-(4-chloro-5-(4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl)pyridazin-3-yl)-3,3,3-trifluoropropanehydrazide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran; ethyl acetate at 20℃; for 16h;	87%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1255311-47-7
{3-chloro-4-[3-chloro-4-(tetrahydro-pyran-4-yloxy)-phenyl]-pyridin-2-yl}-hydrazine

: 1255311-48-8
N'-{3-chloro-4-[3-chloro-4-(tetrahydro-2H-pyran-4-yloxy)-phenyl]-pyridin-2-yl}-3,3,3-trifluoropropanohydrazide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 1h;	86%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 506-59-2
N,N-dimethylammonium chloride

: 137131-14-7
N,N-dimethyl-3,3,3-trifluoropropionamide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane for 4h;	86%
Stage #1: N,N-dimethylammonium chloride With sodium hydrogencarbonate In dichloromethane Stage #2: 3,3,3-trifluoropropanoyl chloride In dichloromethane for 4h;	86%

: 35854-47-8
N-((pyridin-2-yl)methyl)benzamide

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: N-(pyridin-2-ylmethyl)-N-(3,3,3-trifluoropropanoyl)benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 3h; Green chemistry;	86%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 110230-36-9
2-chloro-3,3,3-trifluoropropanoic acid

Conditions

Conditions	Yield
With water at 50℃; for 4h; Product distribution / selectivity;	A 84.5% B n/a

...Expand

: 67-56-1
methanol

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 18830-44-9
methyl 3,3,3-trifluoropropionate

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	80%
In N,N-dimethyl-formamide at 50℃; for 1h;	7.5 g

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: tert-butyl (3-hydrazinyl-3-oxo-2-phenylpropyl)carbamate

: tert-butyl (3-oxo-2-phenyl-3-(2-(3,3,3-trifluoropropanoyl)hydrazinyl)propyl)carbamate

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 20℃; for 2h;	80%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1072919-42-6
5-morpholino-2,4-dinitroaniline

: 3,3,3-trifluoro-N-(5-morpholino-2,4-dinitrophenyl)propionamide

Conditions

Conditions	Yield
With pyridine at 20℃; for 0.0833333h;	80%

: 1190-73-4
2-(acetylamino)ethanethiol

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1402718-98-2
S-(3,3,3-trifluoropropionyl)-N-acetylcysteamine

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	79.5%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 372-09-8
cyanoacetic acid

: 1610051-24-5
5,5,5-trifluoro-3-oxopentanenitrile

Conditions

Conditions	Yield
With [2,2]bipyridinyl; n-butyllithium In tetrahydrofuran; hexane at -78 - -10℃; for 3h;	77%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 75-65-0
tert-butyl alcohol

: 423177-16-6
tert-butyl 3,3,3-trifluoropropanoate

Conditions

Conditions	Yield
With N,N-diethylaniline In diethyl ether at 50℃; for 8h; Inert atmosphere;	76%

: 1020085-39-5
5-amino-2,4-bis(benzyloxy)-6-[2,3,4,5-tetrakis-(O-tert-butyldimethylsilanyl)ribitylamino]pyrimidine

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1389329-08-1
N-(2,4-bis(benzyloxy)-6-((2S,3S,4R)-2,3,4,5-tetrakis(tert-butyldimethylsilyloxy)pentylamino)pyrimidin-5-yl)-3,3,3-trifluoropropanamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0℃; for 0.5h;	75%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 4'-hydroxybiphenyl-4-yl 4-{(E)-2-[3,4,5-tris(dodecyloxy)phenyl]ethenyl} benzoate

: C66H93F3O7

Conditions

Conditions	Yield
With pyridine; dmap In tetrahydrofuran at 70℃; for 16h; Inert atmosphere;	75%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 14630-40-1
Bis(trimethylsilyl)ethyne

: 5,5,5-trifluoro-1-(trimethylsilyl)pent-1-yn-3-one

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0℃; for 1h;	75%
With aluminum (III) chloride In dichloromethane at 0℃; for 1h;	75%

: 15693-51-3
potassium[manganese(pentacarbonyl)]

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 3,3,3-trifluoropropanoyl(pentacarbonyl)manganese

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;	75%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1519048-59-9
4-chloro-5-(4-(2-fluorophenyl)piperidin-1-yl)-3-hydrazinylpyridazine

: 1519048-64-6
N'-(4-chloro-5-(4-(2-fluorophenyl)piperidin-1-yl)pyridazin-3-yl)-3,3,3-trifluoropropanehydrazide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran; ethyl acetate at 20℃; for 16h;	74%

: 2033-24-1
cycl-isopropylidene malonate

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1417437-68-3
C9H9F3O5

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 2h; Inert atmosphere;	72.5%

: 4597-87-9
2-(N-methylamino)pyridine

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 2,2’-bis(di-p-tolylphosphino)-1,1’-binaphthy

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 2h;	72%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1455029-02-3
N-(((1S,2S)-2-(4-fluorophenyl)cyclopropyl)methyl)-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine

: 1455029-04-5
3,3,3-trifluoro-N'-(4-((((1S,2S)-2-(4-fluorophenyl)cyclopropyl)methyl)amino)-3-(trifluoromethyl)pyridin-2-yl)propanehydrazide

Conditions

Conditions	Yield
With sodium carbonate In tetrahydrofuran; water; ethyl acetate for 0.166667h;	71.6%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water at 50℃; for 5h; Product distribution / selectivity;	70.5%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 1035219-17-0
5-[4-(azetidin-3-yloxy)-3-methoxyphenyl]-2-(4-chlorophenyl)-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

: 2-(4-chlorophenyl)-5-{3-methoxy-4-[1-(3,3,3-trifluoropropionyl)azetidin-3-yloxy]phenyl}-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

Conditions

Conditions	Yield
With pyridine; dmap	70%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 100-51-6
benzyl alcohol

: 78686-91-6
benzyl 3,3,3-trifluoropropanoate

Conditions

Conditions	Yield
In dichloromethane at 60℃; for 3h;	70%
at 50℃; for 2h; Inert atmosphere;

3,3,3-Trifluoropropanoyl chloride Specification

The Propanoyl chloride,3,3,3-trifluoro-, with the CAS registry number 41463-83-6, is also known as ZINC12953050. This chemical's molecular formula is C₃H₂ClF₃O and molecular weight is 146.5. Its IUPAC name is called 3,3,3-trifluoropropanoyl chloride. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes.

Physical properties of Propanoyl chloride,3,3,3-trifluoro-: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.946; (3)ACD/LogD (pH 7.4): 0.946; (4)ACD/BCF (pH 5.5): 3.082; (5)ACD/BCF (pH 7.4): 3.082; (6)ACD/KOC (pH 5.5): 77.902; (7)ACD/KOC (pH 7.4): 77.902; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.335; (11)Molar Refractivity: 21.283 cm³; (12)Molar Volume: 102.952 cm³; (13)Surface Tension: 20.338 dyne/cm; (14)Density: 1.423 g/cm³; (15)Enthalpy of Vaporization: 29.201 kJ/mol; (16)Boiling Point: 48.369 °C at 760 mmHg; (17)Vapour Pressure: 310.965 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)Cl)C(F)(F)F
(2)InChI: InChI=1S/C3H2ClF3O/c4-2(8)1-3(5,6)7/h1H2
(3)InChIKey: VOSQLWCTKGQTAY-UHFFFAOYSA-N

Product Name

3,3,3-TRIFLUOROPROPIONYL CHLORIDE

Synthetic route

3,3,3-Trifluoropropanoyl chloride Specification

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