3-(Trifluoromethyl)benzoyl chloride supplier

Name
3-(Trifluoromethyl)benzoyl chloride
EINECS 218-844-5
CAS No. 2251-65-2
Article Data79
CAS DataBase
Density 1.396 g/cm³
Solubility decomposes in water
Melting Point
Formula C₈H₄ClF₃O
Boiling Point 185.5 °C at 760 mmHg
Molecular Weight 208.567
Flash Point 75.5 °C
Transport Information UN 3265 8/PG 2
Appearance clear light yellow liquid
Safety 26-36/37/39-45-8
Risk Codes 34-37-29
Molecular Structure
Hazard Symbols C
Synonyms m-Toluoylchloride, a,a,a-trifluoro-(7CI,8CI);3-[Trifluoromethyl]phenylcarbonyl chloride;NSC 88307;m-(Trifluoromethyl)benzoyl chloride;
PSA 17.07000
LogP 3.08440

Synthetic route

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
Stage #1: 3-(trifluoromethyl)benzoic acid With N,N-dimethyl-formamide In dichloromethane at 0℃; for 0.0833333h; Stage #2: With oxalyl dichloride In dichloromethane at 20℃; for 12h;	100%
With thionyl chloride
With thionyl chloride

: 349-76-8
3'-(trifluoromethyl)acetophenone

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
Stage #1: 3'-(trifluoromethyl)acetophenone With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 2h; Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 15.5h;	87%
With pyridine; disulfur dichloride at 137℃; for 20h;	76 %Spectr.

: 402-26-6
3-(trifluoromethyl)phenylmagnesium bromide

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: carbon dioxide 2: thionyl chloride View Scheme

: 2557-13-3
3-trifluoromethylbenzoic acid methyl ester

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide / methanol / 20 °C 1.2: pH 2 2.1: thionyl chloride / dichloromethane / 2 h / 40 °C View Scheme

: 3416-93-1
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; N-chloro-succinimide; tris(2,2'-bipyridyl)ruthenium dichloride In acetonitrile at 20℃; for 24h; Sealed tube; Irradiation;

: 401-81-0
m-trifluoromethylphenyl iodide

aroyl chloride: aroyl chloride

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 12h;

: 79-37-8
oxalyl dichloride

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Conditions

Conditions	Yield
In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 1h;

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 116332-62-8
N-methoxy-N-methyl-3-trifluoromethylbenzamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 0.5h;	100%
With triethylamine In dichloromethane at 5℃; for 0.5h;	98%
With sodium hydroxide In water at -20℃; pH=7.5 - 8; Temperature; Reagent/catalyst; Solvent;	90%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: [(R)-4-Benzenesulfonyl-4-((R)-1-hydroxy-pentyl)-cyclopent-2-enyl]-acetic acid methyl ester

: (1R*,4S*,1'R*)-1-[4-(methoxycarbonylmethyl)-1-(phenylsulfonyl)-cyclopent-2-enyl]pentyl 3-trifluoromethylbenzoate

Conditions

Conditions	Yield
With dmap In pyridine at 20℃; for 19h;	100%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: [(R)-4-Benzenesulfonyl-4-((S)-1-hydroxy-pentyl)-cyclopent-2-enyl]-acetic acid methyl ester

: (1R*,4S*,1'S*)-1-[4-(methoxycarbonylmethyl)-1-(phenylsulfonyl)-cyclopent-2-enyl]pentyl 3-trifluoromethylbenzoate

Conditions

Conditions	Yield
With dmap In pyridine at 20℃; for 19h;	100%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: [(S)-4-Benzenesulfonyl-4-((R)-1-hydroxy-pentyl)-cyclopent-2-enyl]-acetic acid methyl ester

: (1S*,4S*,1'R*)-1-[4-(methoxycarbonylmethyl)-1-(phenylsulfonyl)-cyclopent-2-enyl]pentyl 3-trifluoromethylbenzoate

Conditions

Conditions	Yield
With dmap In pyridine at 20℃; for 19h;	100%

: 635-22-3
4-Chloro-3-nitroaniline

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 1001341-80-5
N-(4-chloro-3-nitrophenyl)-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃; for 6h;	100%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 73874-95-0
(piperidin-4-yl)carbamic acid tert-butyl ester

: 672324-63-9
C18H23F3N2O3

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 25℃; for 3.25h;	100%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 119-32-4
4-Methyl-3-nitroanilin

: 221876-21-7
N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
Stage #1: 3-(Trifluoromethyl)benzoyl chloride; 4-Methyl-3-nitroanilin With triethylamine In dichloromethane at 25℃; for 0.333333h; Stage #2: With water In dichloromethane for 0.25h;	100%
With triethylamine In dichloromethane at 25℃; for 0.333333h;	100%
With triethylamine In dichloromethane at 25℃; for 0.333333h;	100%

: 99-03-6
1-(3-aminophenyl)ethanone

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 440348-37-8
N-(3-Acetyl-phenyl)-3-trifluoromethyl-benzamide

Conditions

Conditions	Yield
With pyridine In dichloromethane for 18h;	100%
With pyridine In dichloromethane at 0 - 25℃; for 2 - 19h; Product distribution / selectivity;	96%
With pyridine at 50℃;

: 850451-73-9
6-(5-amino-2-chloro-phenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-ylamine

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 850451-74-0
N-[3-(7-amino-2-methylsulfanyl-pyrido[2,3-d]pyrimidin-6-yl)-4-chloro-phenyl]-3-trifluoromethyl-benzamide

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	100%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 18531-95-8
(S)-2,2'-diamino-1,1'-binaphthalene

: C36H22F6N2O2

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; Inert atmosphere;	100%

: 1147939-11-4
3-[6-(2-chloro-pyridin-4-yl)-thieno[2, 3-d]pyrimidin-4-yl]-phenylamine

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 1147939-12-5
N-{3-[6-(2-chloro-pyridin-4-yl)-thieno[2,3-d]pyrimidin-4-yl]-phenyl}-3-trifluoromethyl-benzamide

Conditions

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

: C46H50N4O10S

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: C54H53F3N4O11S

Conditions

Conditions	Yield
With dmap In pyridine at 0 - 60℃;	100%

: 186593-43-1
5-amino-3-bromo-2-methylpyridine

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: N-(5-bromo-6-methyl-pyridin-3-yl)-3-trifluoromethyl-benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h;	100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h;

: 330796-26-4
3-(4-fluoro-phenyl)-2-(1-methylamino-ethyl)-3H-quinazolin-4-one

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 330796-29-7
N-{1-[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-N-methyl-3-trifluoromethylbenzamide

Conditions

Conditions	Yield
Stage #1: 3-(4-fluoro-phenyl)-2-(1-methylamino-ethyl)-3H-quinazolin-4-one; 3-(Trifluoromethyl)benzoyl chloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 12h; Inert atmosphere; Stage #2: With dmap In dichloromethane at 20℃; for 12h; Inert atmosphere;	100%

: 6,7-dimethoxy-1-(((tetrahydro-2H-pyran-4-yl)oxy)methyl)-1,2,3,4-tetrahydroisoquinoline

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: (6,7-dimethoxy-1-(((tetrahydro-2H-pyran-4-yl)oxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-(trifluoromethyl)phenyl)methanone

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 1h;	100%

: methyl cis-3-(methylamino)cyclohexane-1-carboxylate

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: methyl cis-3-{N-methyl[3-(trifluoromethyl)benzene]amido}cyclohexane-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 3h; Inert atmosphere;	99.27%
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: (Z)-(3R,14R)-14-Isopropyl-3,7,11-trimethyl-cyclotetradeca-5,6,10-trienol

: 3-Trifluoromethyl-benzoic acid (Z)-(3R,14R)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-5,6,10-trienyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane at 23℃; for 1.5h;	99%
With pyridine In dichloromethane at 23℃; for 24h;	65%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: [(S)-4-Benzenesulfonyl-4-((S)-1-hydroxy-pentyl)-cyclopent-2-enyl]-acetic acid methyl ester

: (1S*,4S*,1'S*)-1-[4-(methoxycarbonylmethyl)-1-(phenylsulfonyl)-cyclopent-2-enyl]pentyl 3-trifluoromethylbenzoate

Conditions

Conditions	Yield
With dmap In pyridine at 20℃; for 19h;	99%

: 882670-69-1
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 876322-58-6
N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethyl-benzamide

Conditions

Conditions	Yield
In tetrahydrofuran for 2.5h;	99%
In tetrahydrofuran at 0 - 20℃; for 3h;	96%
In tetrahydrofuran at 0 - 20℃; for 3h;	93%

: 107-10-8
propylamine

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 53743-25-2
N-propyl-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	99%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 76786-65-7
methyl 2,3-dihydro-1H-pyrrolo[1,2-a]-pyrrole-1-carboxylate

: 96327-11-6
5-(3-Trifluoromethyl-benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester

Conditions

Conditions	Yield
In toluene for 41h; Heating;	98%

: 100227-29-0
5,6-di-O-isopropylidene-D-glucono-1,4-lactone

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 905708-57-8
5,6-di-O-isopropylidene-2,3-di-O-[3-(trifluoromethyl)benzoyl]-D-glucono-1,4-lactone

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 3.5h;	98%

: 950195-21-8
tert-butyl {3-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-4(5H)-yl]-3-oxopropyl}carbamate

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: tert-butyl {3-oxo-3-[7-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)pyrazolo[1,5-a]pyrimidin-4(5H)-yl]propyl}carbamate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	98%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 99-09-2
3-nitro-aniline

: 326903-68-8
N-(3-nitrophenyl)-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	98%
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	69%
With triethylamine In dichloromethane at 25℃; for 15h; Inert atmosphere; Schlenk technique;	54%

: 1005781-45-2
3-(imidazo[1,2-b]pyridazin-6-yloxy)aniline

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 1005781-62-3
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one	98%
In 1-methyl-pyrrolidin-2-one at 20℃;	98%

: 109-86-4
2-methoxy-ethanol

: 333-20-0
potassium thioacyanate

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: O-(2-methoxyethyl)(3-(trifluoromethyl)benzoyl)carbamothioate

Conditions

Conditions	Yield
Stage #1: potassium thioacyanate; 3-(Trifluoromethyl)benzoyl chloride In acetone at 55℃; for 1h; Inert atmosphere; Stage #2: 2-methoxy-ethanol In acetone at 55℃; for 12h;	98%

...Expand

: 821-41-0
5-Hexen-1-ol

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: hex-5-en-1-yl 3-(trifluoromethyl)benzoate

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 0 - 20℃; for 2h;	98%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: 22224-41-5
1,3,5-tri-O-benzoyl-α-D-ribofuranoside

: 145828-13-3
α-D-1,3,5-tri-O-benzoyl-2-O-[3-(trifluoromethyl)benzoyl]ribofuranose

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In dichloromethane	97%
With 2,6-dimethylpyridine In dichloromethane at 20℃; for 2.5h; Acylation;	97%
With pyridine In dichloromethane for 15h; 0 deg C to RT;	89%
With 2,6-dimethylpyridine In dichloromethane at 0 - 20℃; Inert atmosphere;	82%

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

: (Z)-(3S,14R)-14-Isopropyl-3,7,11-trimethyl-cyclotetradeca-5,6,10-trienol

: 3-Trifluoromethyl-benzoic acid (Z)-(3S,14R)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-5,6,10-trienyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane at 23℃; for 36h;	97%
With pyridine In dichloromethane at 23℃; for 7h;	82%

3-(Trifluoromethyl)benzoyl chloride Chemical Properties

Molecule structure of m-(Trifluoromethyl)benzoyl chloride (CAS NO.2251-65-2):

IUPAC Name: 3-(Trifluoromethyl)benzoyl chloride
Molecular Formula: C₈H₄ClF₃O
Molecular Weight: 208.564970 g/mol
Boiling Point: 184-186 °C at 750 mm Hg(lit.)
Flash Point: 75.5 °C
Density:1.383 g/mL at 25 °C(lit.)
Index of Refraction: 1.467
Molar Refractivity: 41.47 cm³
Molar Volume: 149.3 cm³
Polarizability: 16.44×10^-24 cm³
Surface Tension: 29.5 dyne/cm
Water Solubility: decomposes
Sensitive: Lachrymatory
XLogP3: 3.9
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 207.990277
MonoIsotopic Mass: 207.990277
Topological Polar Surface Area: 17.1
Heavy Atom Count: 13
Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
InChI: InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H
InChIKey: RUJYJCANMOTJMO-UHFFFAOYSA-N
EINECS: 218-844-5
Product Categories: Chemical intermediate for Flumecinol; Aromatic Halides (substituted); Benzotrifluoride Series

3-(Trifluoromethyl)benzoyl chloride Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34-37-29
R34:Causes burns.
R37:Irritating to respiratory system
R29:Contact with water liberates toxic gas.
Safety Statements: 26-36/37/39-45-8
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S8:Keep container dry.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
F: 19-21
Hazard Note: Corrosive/Lachrymatory
TSCA: T
HazardClass: 8
PackingGroup: II

3-(Trifluoromethyl)benzoyl chloride Specification

m-(Trifluoromethyl)benzoyl chloride (CAS NO.2251-65-2) is also named as 3-(Trifluoromethyl)benzoyl chloride ; NSC 88307 ; alpha,alpha,alpha-Trifluoro-m-toluoyl chloride ; m-Toluoyl chloride, alpha,alpha,alpha-trifluoro- ; Benzoyl chloride, 3-(trifluoromethyl)- m-(Trifluoromethyl)benzoyl chloride (CAS NO.2251-65-2) is clear light yellow liquid.

Product Name

3-(Trifluoromethyl)benzoyl chloride

Synthetic route

3-(Trifluoromethyl)benzoyl chloride Chemical Properties

3-(Trifluoromethyl)benzoyl chloride Safety Profile

3-(Trifluoromethyl)benzoyl chloride Specification

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