Pentafluorobenzyl chloride supplier

Name
Pentafluorobenzyl chloride
EINECS 211-501-0
CAS No. 653-35-0
Article Data5
CAS DataBase
Density 1.567 g/cm³
Solubility Not miscible in water.
Melting Point
Formula C₇H₂ClF₅
Boiling Point 158.8 °C at 760 mmHg
Molecular Weight 216.538
Flash Point 55.3 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,(chloromethyl)pentafluoro- (9CI);Toluene, a-chloro-2,3,4,5,6-pentafluoro- (6CI,7CI,8CI);(Pentafluorophenyl)methyl chloride;1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene;2,3,4,5,6-Pentafluorobenzylchloride;Chloromethylpentafluorobenzene;a-Chloro-2,3,4,5,6-pentafluorotoluene;Pentafluorobenzyl chloride;
PSA 0.00000
LogP 3.12090

Synthetic route

: 440-60-8
(2,3,4,5,6-pentafluorophenyl)methanol

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With thionyl chloride	80%
With phosphorus pentachloride

: 75-36-5
acetyl chloride

: 151503-30-9
pentafluorobenzyl 2,6-dimethylphenyl ether

A: 876-98-2
2,6-dimethylphenyl acetate

B: Acetic acid 2,6-dimethyl-4-pentafluorophenylmethyl-phenyl ester

C: 3',5'-dimethyl-4'-pentafluorobenzyloxyacetophenone

D: Acetic acid 2,6-dimethyl-3-pentafluorophenylmethyl-phenyl ester

E: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane Mechanism; Ambient temperature; or 2,6-difluorophenol;	A n/a B 25% C 41% D 17% E n/a

...Expand

: 75-36-5
acetyl chloride

: 151503-30-9
pentafluorobenzyl 2,6-dimethylphenyl ether

A: Acetic acid 2,6-dimethyl-4-pentafluorophenylmethyl-phenyl ester

B: 3',5'-dimethyl-4'-pentafluorobenzyloxyacetophenone

C: Acetic acid 2,6-dimethyl-3-pentafluorophenylmethyl-phenyl ester

D: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane Ambient temperature; Further byproducts given;	A 25% B 41% C 17% D n/a

...Expand

: 778-34-7
1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

A: 771-56-2
2,3,4,5,6-pentafluorotoluene

B: 652-30-2
pentafluorobenzylidene chloride

C: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; zinc In water; N,N-dimethyl-formamide at 25℃; for 10h;	A 32% B 31% C 5%

...Expand

: 771-56-2
2,3,4,5,6-pentafluorotoluene

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride; dibenzoyl peroxide
With chlorine Irradiation;

: 75-36-5
acetyl chloride

: 151503-36-5
1-(2,6-Difluoro-phenoxymethyl)-2,3,4,5,6-pentafluoro-benzene

A: 36914-78-0
2',6'-difluorophenyl acetate

B: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With aluminium trichloride Yield given. Yields of byproduct given;

...Expand

: 151503-36-5
1-(2,6-Difluoro-phenoxymethyl)-2,3,4,5,6-pentafluoro-benzene

A: 36914-78-0
2',6'-difluorophenyl acetate

B: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
With aluminium trichloride; acetyl chloride Yield given. Yields of byproduct given;

: 1765-40-8
(bromomethyl)pentafluorobenzene

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 97 percent / K2CO3 / acetone 2: AlCl3 View Scheme
Multi-step reaction with 2 steps 1: 97 percent / K2CO3 / acetone 2: AlCl3, acetyl chloride View Scheme

: 344-04-7
bromopentafluorobenzene

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) Mg, (ii) /BRN= 636496/ 2: LiAlH4 3: PCl5 View Scheme

: 653-37-2
perfluorobenzaldehyde

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4 2: PCl5 View Scheme

: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) Mg, (ii) /BRN= 906769/ 2: LiAlH4 3: PCl5 View Scheme

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 1229616-83-4
C13H14F5N2(1+)*Cl(1-)

Conditions

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

: 622-30-0
N-benzyl hydroxylalmine

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: N-benzyl-N-2,3,4,5,6-pentafluorobenzylhydroxylamine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 5h;	90%

: 149-30-4
2-Mercaptobenzothiazole

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 2-(perfluorobenzylthio)benzo[d]thiazole

Conditions

Conditions	Yield
With potassium iodide In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	86%

: 106-45-6
para-thiocresol

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 2,3,4,5,6-pentafluorobenzyl p-tolyl sulfide

Conditions

Conditions	Yield
Stage #1: para-thiocresol With sodium ethanolate In ethanol at 0℃; Inert atmosphere; Stage #2: 2,3,4,5,6-pentafluorobenzyl chloride In ethanol at 0 - 20℃;	83%

: 3943-74-6
4-hydroxy-3-methoxybenzoic acid methyl ester

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 1354549-26-0
C16H11F5O4

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 12h; Inert atmosphere;	82%

: 91488-36-7
N-(2,3,4,5-pentafluorobenzyl)-hydroxylamine

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 107608-46-8
N,N-bis-(2,3,4,5,6-pentafluorobenzyl)-hydroxylamine

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 20℃; for 10h;	80%

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 91488-36-7
N-(2,3,4,5-pentafluorobenzyl)-hydroxylamine

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; triethylamine In 1,4-dioxane at 110℃; for 5h;	80%

: 7-cyano-2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: C19H13F5N2

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; sodium carbonate In N,N-dimethyl-formamide at 60℃; for 10h; pH=8;	75%

: 5-trifluoromethyl-6,7,8,9-tetrahydro-6,10-methano-6H-pyrazino[2,3-H][3]benzazepine

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: C21H13F8N3

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; sodium carbonate In acetone for 6h; pH=9; Reflux;	71.4%

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 163432-96-0
2,3,4,5,6-pentafluorobenzylhydrazine

Conditions

Conditions	Yield
With hydrazine In methanol at 20℃; for 2h;	70%
With hydrazine In methanol for 2h; Ambient temperature;	51%

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 555-96-4
Benzylhydrazine

: 96892-93-2
N-(2,3,4,5,6-pentafluorobenzyl)-N-benzylhydrazine hydrochloride

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 25 - 30℃; for 10h;	61%

: 67-63-0
isopropyl alcohol

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 147-85-3
L-proline

: 511544-20-0
(S)-N-[(4-isopropoxytetrafluorophenyl)methyl]proline

Conditions

Conditions	Yield
With potassium hydroxide at 20℃; for 15h;	59%

...Expand

: 5720-07-0
4-methoxyphenylboronic acid

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 1,2,3,4,5-pentafluoro-6-(4-methoxybenzyl)benzene

Conditions

Conditions	Yield
With potassium pyrophosphate; 2-methoxy-10-(4-methoxyphenyl)-10H-phenothiazine; potassium bromide In acetonitrile at 110℃; for 48h; Suzuki Coupling; Glovebox; chemoselective reaction;	37%

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

A: 771-56-2
2,3,4,5,6-pentafluorotoluene

B: 853-74-7
2,2',3,3',4,4',5,5',6,6'-decafluorobibenzyl

Conditions

Conditions	Yield
With magnesium at 600℃; under 0.01 - 0.1 Torr;	A 23% B 35%
With copper chloride; zinc In water; N,N-dimethyl-formamide at 25℃; for 7h;	A 34% B 18%

: disodium tetracarbonylosmate

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 74595-84-9
(C6F5CH2)2Os(CO)4

Conditions

Conditions	Yield
In not given reaction between cluster and C6F5CH2Cl;	30%

: 4-[(1S,2R)-2-(3,3-Diphenyl-propylamino)-1-hydroxy-propyl]-phenol

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: (1S,2R)-2-(3,3-Diphenyl-propylamino)-1-(4-pentafluorophenylmethoxy-phenyl)-propan-1-ol

Conditions

Conditions	Yield
(i) aq. NaOH, (ii) /BRN= 647807/; Multistep reaction;

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 22006-43-5
2,3,4,5,6-pentafluorobenzyl fluoride

Conditions

Conditions	Yield
With cesium fluoride at 250℃;
With potassium fluoride In N,N-dimethyl-formamide at 140℃; for 9h; Yield given;

: 17356-08-0
thiourea

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 46495-85-6
S-(2,3,4,5,6-Pentafluor-benzyl)-isothioharnstoff

: 109-72-8, 29786-93-4
n-butyllithium

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 40316-36-7
1-Pentafluorphenylpentan

Conditions

Conditions	Yield
In hexane

: 151-50-8
potassium cyanide

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 653-30-5
(pentafluorophenyl)acetonitrile

Conditions

Conditions	Yield
In ethanol

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 440-60-8
(2,3,4,5,6-pentafluorophenyl)methanol

Conditions

Conditions	Yield
With potassium carbonate Heating;

: 784-00-9
1,3,4,5,6,7,8-heptafluoronaphthalene

: 653-35-0
2,3,4,5,6-pentafluorobenzyl chloride

: 27041-15-2
1,2,3,4,5,6,8-Heptafluoro-7-pentafluorophenylmethyl-naphthalene

Conditions

Conditions	Yield
With chlorosulfonic acid

Pentafluorobenzyl chloride Specification

The Benzene,1-(chloromethyl)-2,3,4,5,6-pentafluoro-, with CAS registry number 653-35-0, has the systematic name of 1-(chloromethyl)-2,3,4,5,6-pentafluorobenzene. Besides this, it is also called 2,3,4,5,6-Pentafluorobenzylchloride. And the chemical formula of this chemical is C₇H₂ClF₅. What's more, its EINECS is 211-501-0.

Physical properties of Benzene,1-(chloromethyl)-2,3,4,5,6-pentafluoro-: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 63.1; (6)ACD/BCF (pH 7.4): 63.1; (7)ACD/KOC (pH 5.5): 676.21; (8)ACD/KOC (pH 7.4): 676.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 35.98 cm³; (15)Molar Volume: 138.1 cm³; (16)Polarizability: 14.26×10^-24cm³; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 1.567 g/cm³; (19)Flash Point: 55.3 °C; (20)Enthalpy of Vaporization: 37.92 kJ/mol; (21)Boiling Point: 158.8 °C at 760 mmHg; (22)Vapour Pressure: 3.34 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3,4,5,6-pentafluoro-benzenemethanol. This reaction will need reagent SOCl₂. The yield is about 80%.

Uses of Benzene,1-(chloromethyl)-2,3,4,5,6-pentafluoro-: it can be used to produce pentafluorobenzylhydrazine. This reaction will need reagent hydrazine and solvent methanol. The reaction time is 2 hour(s) with reaction temperature of 20 ℃. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(chloromethyl)-2,3,4,5,6-pentafluoro- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)CCl
(2)InChI: InChI=1/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
(3)InChIKey: ZLNVRXFZTPRLIK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
(5)Std. InChIKey: ZLNVRXFZTPRLIK-UHFFFAOYSA-N

Product Name

Pentafluorobenzyl chloride

Synthetic route

Pentafluorobenzyl chloride Specification

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