4-Chlorobenzyl chloride supplier

Name
4-Chlorobenzyl chloride
EINECS 203-242-7
CAS No. 104-83-6
Article Data85
CAS DataBase
Density 1.26 g/cm³
Solubility insoluble in water
Melting Point 27-29 °C(lit.)
Formula C₇H₆Cl₂
Boiling Point 223 °C at 760 mmHg
Molecular Weight 161.031
Flash Point 87.3 °C
Transport Information UN 3427 6.1/PG 3
Appearance colorless to light yellow liquid
Safety 26-36/37/39-45-29-61
Risk Codes 34-51/53-20/21/22
Molecular Structure
Hazard Symbols C; N
Synonyms (4-Chlorophenyl)methyl chloride;alpha,4-Dichlorotoluene;p-Chlorobenzyl chloride;1-Chloro-4-(chloromethyl)benzene;Benzene, 1-chloro-4-(chloromethyl)-;p-Chlorobenzyl chloride, liquid or solid;alpha,p-Dichlorotoluene;α,4-dichlorotoluene;Chlorobenzyl Chloride;4-Chlorobenzyl chloride(PCBC);4-Chlorobenzylchloride;Toluene, p,alpha-dichloro-;p-Chlorophenylmethyl chloride;Benzene, 1-chloro-4- (chloromethyl)-;
PSA 0.00000
LogP 3.07880

Synthetic route

: 873-76-7
para-Chlorobenzyl alcohol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With tetrachloromethane; cross-linked polymer (containing 2.50 mmol of phosphine/g) for 3h; Heating;	100%
With ziconium(IV) oxychloride octahydrate; lithium chloride In ethanol; water at 90℃; for 1.5h;	95%
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide at 20℃; for 0.25h; chemoselective reaction;	94%

: 106-43-4
para-chlorotoluene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride; potassium chloride; tetrabutyl-ammonium chloride In water at 20℃; Irradiation; Green chemistry;	94%
With N-chloro-succinimide; N-hydroxyphthalimide; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 3h; Reagent/catalyst; Time; Sealed tube; Inert atmosphere;	93%
With N-hydroxyphthalimide; carbon tetrabromide; trichloroisocyanuric acid; copper(II) acetate monohydrate In dichloromethane at 25℃; for 17h;	73%

: 104-88-1
4-chlorobenzaldehyde

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With dichloromethylsilane; iron(III) chloride In 1,2-dimethoxyethane for 3h; Heating;	92%
With chloro-trimethyl-silane; thionyl chloride; 1,1,3,3-Tetramethyldisiloxane; zinc(II) iodide at 70℃; for 0.75h;	85%
With indium(III) hydroxide; dimethylmonochlorosilane In chloroform at 20℃; for 2h;	83%
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / ethanol / 0 - 20 °C / Inert atmosphere 2: thionyl chloride / Reflux View Scheme

: 1878-66-6
4-chlorophenylacetic Acid

A: 104-83-6
1-Chloro-4-(chloromethyl)benzene

B: 622-95-7
4-chlorobenzyl bromide

Conditions

Conditions	Yield
With tetra-N-butylammonium tribromide; 1,3-dichloro-[1,3,5]triazinane-2,4,6-trione In dichloromethane at 20℃; for 2h; Time; Reagent/catalyst; Concentration; Photolysis;	A 6% B 86%

: 4'-chlorobenzyl chlorodimethylsilyl ether

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With indium(III) hydroxide In chloroform at 20℃; for 2h;	83%

: 1878-66-6
4-chlorophenylacetic Acid

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With tert-butylhypochlorite; Ag(Phen)2OTf In acetonitrile at 20℃; for 4h; Inert atmosphere;	80%

: 3395-81-1
4-chlorobenzaldehyde dimethyl acetal

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With triethylsilane; acetyl chloride; tin(ll) chloride In dichloromethane for 12h; Ambient temperature;	79%

: 98181-84-1
(4-chlorobenzyl)(fluoromethyl)sulfane

A: 42497-69-8
monofluoromethylsulfonyl chloride

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With water; chlorine In dichloromethane at -5℃;	A 69% B 74%

: 81067-97-2
C7H6Cl2S

A: 23566-17-8
bis(4-chlorobenzyl)disulfide

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With triethylamine In dichloromethane; pentane at 20 - 23℃; for 24h;	A 69% B 17%

: 873-76-7
para-Chlorobenzyl alcohol

A: 56428-00-3
bis(4-chlorobenzyl) ether

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With chloro-trimethyl-silane In neat (no solvent) at 70 - 75℃; for 24h; Green chemistry; chemoselective reaction;	A 16 %Spectr. B 63%

: 292638-84-7
styrene

: 6966-45-6
4-chlorobenzylsulfonyl chloride

A: 104-83-6
1-Chloro-4-(chloromethyl)benzene

B: 1-Chloro-4-(2-chloro-2-phenyl-ethanesulfonylmethyl)-benzene

Conditions

Conditions	Yield
dichlorotris(triphenylphosphine)ruthenium(II) at 80℃; for 72h;	A 52% B 21%

...Expand

: 1878-66-6
4-chlorophenylacetic Acid

A: 62037-06-3
1-chloro-4-(dibromomethyl)benzene

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

C: 622-95-7
4-chlorobenzyl bromide

Conditions

Conditions	Yield
With trichloroisocyanuric acid; tetra-N-butylammonium tribromide In dichloromethane at 20℃; for 2h; Reagent/catalyst; Photolysis;	A 12% B 17% C 37%

...Expand

: N-(4-bromo-benzyl)-N-(4-chloro-benzyl)-benzamide

A: 134516-57-7
Ν-(4-bromobenzyl)benzamide

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With phosphorus pentachloride at 130℃;

: N,N-bis-(4-chloro-benzyl)-benzamide

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With phosphorus pentachloride at 110℃;

: N-(3-chloro-benzyl)-N-(4-chloro-benzyl)-benzamide

A: N-(3-chlorobenzyl) benzamide

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With phosphorus pentachloride at 110℃;

: 100-44-7
benzyl chloride

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With iodine durch Chlorierung;

: 100-44-7
benzyl chloride

A: 104-83-6
1-Chloro-4-(chloromethyl)benzene

B: 611-19-8
1-chloro-2-(chloromethyl)benzene

Conditions

Conditions	Yield
With iodine at 30 - 40℃; beim Chlorieren;

: 107-30-2
chloromethyl methyl ether

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

...Expand

: 107-30-2
chloromethyl methyl ether

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With sulfuric acid at 25℃;
With zinc(II) chloride at 65℃;

: 50-00-0
formaldehyd

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride

: 542-88-1
bis(2-chloromethyl)ether

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With zinc(II) chloride at 65℃;
With sulfuric acid at 25℃;

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride; formaldehyd; zinc(II) chloride

: 29180-24-3
C7H6Cl(1+)

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
With tertiary butyl chloride In gaseous matrix at 600℃; chloride affinity;

: 17876-99-2
(4-chlorobenzyl)trimethylsilane

: 1801-77-0
oxovanadium(V) ethoxydichloride

A: 33598-76-4
1-chloro-4-(ethoxymethyl)benzene

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
In acetonitrile Product distribution; -30 deg C, 2 h; RT, 4 h;

...Expand

: 106-38-7
para-bromotoluene

A: 106-43-4
para-chlorotoluene

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

C: 622-95-7
4-chlorobenzyl bromide

D: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With sodium chlorite; trichloroacetic acid In dichloromethane for 3h; Chlorination; substitution; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 17 % Chromat. D 25 % Chromat.

...Expand

: 106-38-7
para-bromotoluene

A: 106-43-4
para-chlorotoluene

B: 104-83-6
1-Chloro-4-(chloromethyl)benzene

C: 589-15-1
1-bromomethyl-4-bromobenzene

D: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With sodium chlorite; trichloroacetic acid In dichloromethane for 3h; Bromination; chlorination; substitution; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 20 % Chromat. D 25 % Chromat.

...Expand

: 7553-56-2
iodine

: 100-44-7
benzyl chloride

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

Conditions

Conditions	Yield
beim Chlorieren;

: 7647-01-0
hydrogenchloride

: 50-00-0
formaldehyd

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 108-90-7
chlorobenzene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

...Expand

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 71-43-2
benzene

: 831-81-2
4-chlorophenyl(phenyl)methane

Conditions

Conditions	Yield
lithium tetrakis(pentafluorophenyl)borate for 8h; Friedel-Crafts benzylation; Heating;	100%
With phosphonic Acid at 150℃; for 36h; Inert atmosphere;	56%
aluminium trichloride In nitromethane at 20℃; Rate constant;
With aluminium trichloride

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 27032-10-6
4-chlorobenzyl azide

Conditions

Conditions	Yield
With sodium azide In water at 80℃; for 4h;	100%
With sodium azide In N,N-dimethyl-formamide at 60℃; for 6h; Inert atmosphere; regioselective reaction;	91%
With sodium azide In dimethyl sulfoxide at 20℃; for 5h;	86%

: 64276-62-6
4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 131924-81-7
1-(4-Chloro-benzyl)-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃;	100%

: 100-02-7
4-nitro-phenol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 60094-71-5
1-chloro-4-((4-nitrophenoxy)methyl)benzene

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 78℃; for 5h;	100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h; Williamson Ether Synthesis;
With potassium carbonate In N,N-dimethyl-formamide Reflux;

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 108-95-2
phenol

: 19962-25-5
1-chloro-4-(phenoxymethyl)benzene

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 78℃; for 5h;	100%
With potassium carbonate; sodium iodide In acetonitrile Reflux;	93%
With caesium carbonate In neat (no solvent) for 16h; Reagent/catalyst; Milling; Green chemistry;	72%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 259816-92-7
4-(4-nitro-1H-pyrrol-3-yl)-pyridine

: 4-[1-(4-chloro-benzyl)-4-nitro-1H-pyrrol-3-yl]-pyridine

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 20℃; for 20h;	100%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 1761-61-1
5-bromosalicyclaldehyde

: 428482-55-7
5-bromo-2-((4-chlorobenzyl)oxy)benzaldehyde

Conditions

Conditions	Yield
Stage #1: 5-bromosalicyclaldehyde With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 0.5h; Stage #2: 1-Chloro-4-(chloromethyl)benzene In DMF (N,N-dimethyl-formamide) at 65℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 4h;	98%
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere;	98.9%
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;

: 36669-02-0
2,3-bis(methoxycarbonyl)phenol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 1061605-85-3
3-(4-chloro-benzyloxy)-phthalic acid dimethyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating / reflux;	100%

: 1147395-12-7
5-deoxy-2,3:6,7-di-O-diethylidene-1-O-(4,4'-dimethoxytriphenylmethyl)-D-allo-heptan-1-itol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 1147395-13-8
4-O-(4-chlorobenzyl)-5-deoxy-2,3:6,7-di-O-diethylidene-1-O-(4,4'-dimethoxytriphenylmethyl)-D-allo-heptan-1-itol

Conditions

Conditions	Yield
Stage #1: 5-deoxy-2,3:6,7-di-O-diethylidene-1-O-(4,4'-dimethoxytriphenylmethyl)-D-allo-heptan-1-itol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 1-Chloro-4-(chloromethyl)benzene In N,N-dimethyl-formamide at 20℃; for 2h;	100%

: 2-[(4-benzyl-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)thio]-1-(4-chlorophenyl)ethanol

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 1-[(4-benzyl-5-{[2-[(4-chlorobenzyl)oxy]-2-(4-chlorophenyl)ethyl]thio}-4H-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine

Conditions

Conditions	Yield
Stage #1: 2-[(4-benzyl-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)thio]-1-(4-chlorophenyl)ethanol With sodium hydride In tetrahydrofuran at 100℃; for 0.166667h; Sealed tube; Microwave irradiation; Stage #2: 1-Chloro-4-(chloromethyl)benzene In tetrahydrofuran at 125℃; for 0.75h; Time; Temperature; Sealed tube; Microwave irradiation;	100%

: 122453-97-8
ethyl 4-(p-chlorophenyl)-pyrrole-3-carboxylate

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 131924-86-2
1-(4-Chloro-benzyl)-4-(4-chloro-phenyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃;	99.9%

: 1927-94-2
3-chlorosalicylaldehyde

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 3-chloro-2-((4-chlorobenzyl)oxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere;	99.3%
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 23566-17-8
bis(4-chlorobenzyl)disulfide

Conditions

Conditions	Yield
With piperidine; tetrathio molybdate (VI) In N,N-dimethyl-formamide at 25℃; for 1h;	99%
With PEG-400; sodium hydroxide; sulfur In benzene at 65℃; for 1h;	97%
With sulfur; PEG-400; sodium hydroxide In N,N-dimethyl-formamide at 65 - 70℃; for 4h;	97%

: 582-52-5
1,2:5,6-diacetone-D-glucose

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 27519-12-6
3-O-(p-chlorobenzyl)-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide at 50℃; for 4.5h;	99%
With potassium hydroxide In tetrahydrofuran for 29h; Heating;	98%

: 201230-82-2
carbon monoxide

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 109-89-7
diethylamine

: 28249-77-6
Thiobencarb

Conditions

Conditions	Yield
Stage #1: carbon monoxide; diethylamine With potassium carbonate; sulfur In dimethyl sulfoxide at 20℃; under 760 Torr; for 5h; Stage #2: 1-Chloro-4-(chloromethyl)benzene In dimethyl sulfoxide at 20℃; for 1h;	99%
With sulfur; selenium In tetrahydrofuran 1.) 30 deg C; 2.) rt.;	90%
Yield given. Multistep reaction;

...Expand

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

sodium cyanide: sodium cyanide

: 140-53-4
p-chlorobenzyl cyanide

Conditions

Conditions	Yield
With benzyl alcohol; ethanol; N-benzyl-N,N,N-triethylammonium chloride at 80℃; for 2h;	99%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 127799-53-5
1-[(1,1-dimethylethoxy)carbonyl]-2-[(phenylmethoxy)carbonyl]-2-methylhydrazine

: C21H25ClN2O4

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In acetonitrile at 50℃; for 24h; Alkylation;	99%

: 31469-15-5
1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 14305-27-2
3-(4-chlorophenyl)-2,2-dimethylpropanoic acid methyl ester

Conditions

Conditions	Yield
With indium(III) bromide In dichloromethane at 20℃; for 12h;	99%
Stage #1: 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene; 1-Chloro-4-(chloromethyl)benzene With indium(III) bromide In dichloromethane at 20℃; for 12h; Stage #2: With water; sodium hydrogencarbonate In dichloromethane Saturated solution;	99 %Spectr.

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 2510-74-9, 5121-74-4, 1657-56-3, 144606-14-4
(E)-1,2-di(4-chlorophenyl)ethene

Conditions

Conditions	Yield
With benzyl phenyl sulfoxide; potassium tert-butylate at 80℃; for 12h; Green chemistry; stereoselective reaction;	99%
With benzyl phenyl sulfoxide; potassium tert-butylate at 80℃; for 12h; Inert atmosphere;	99%
With potassium phenyl selenide In 1,2-dimethoxyethane for 0.283333h; Inert atmosphere; Sealed tube;	97%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 169206-67-1
3-oxo-2,8-diazaspiro<4.5>decane-8-carboxylic acid tert-butyl ester

: 1258000-08-6
C20H27ClN2O3

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃; Reflux;	99%

: 7-bromo-3-ethyl[1,2]oxazolo[4,5-d]pyridazin-4(5H)-one

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 7-bromo-5-(4-chlorobenzyl)-3-ethyl[1,2]oxazolo[4,5-d]pyridazin-4(5H)-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;	99%

: 1α,2β,3β-trihydroxy-olean-12-en-28-oic acid

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 4-chlorobenzyl 1α,2β,3β-trihydroxy-olean-12-en-28-oate

Conditions

Conditions	Yield
Stage #1: 1α,2β,3β-trihydroxy-olean-12-en-28-oic acid With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 1-Chloro-4-(chloromethyl)benzene In N,N-dimethyl-formamide at 20℃;	98.8%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 635-93-8
5-chlorosalicyclaldehyde

: 5-chloro-2-((4-chlorobenzyl)oxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere;	98.7%
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 4h;

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 15291-77-7
ginkgolide B

: 10-O-p-chlorobenzylginkgolide B

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetonitrile for 0.5h; Alkylation; Heating;	98.3%

: butyl-hydroxy-toluene

: 20485-44-3
2,3-dimethyl-2,3-diaminobutane

: 6900-35-2
potassium methacrylate

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 4-chlorobenzyl methacrylate

Conditions

Conditions	Yield
In toluene	98.2%

...Expand

IPr2NEt: IPr2NEt

NaHCO3and: NaHCO3and

: 226249-32-7
ethyl 1-(4-chlorobenzyl)nipecotate

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 1-(4-chlorobenzyl)nipecotic acid

Conditions

Conditions	Yield
With LiOH; sodium hydrogencarbonate In tetrahydrofuran; water; acetonitrile	98.2%

...Expand

4-Chlorobenzyl chloride Specification

The CAS registry number of 4-Chlorobenzyl chloride is 104-83-6. Its EINECS registry number is 203-242-7. The IUPAC name is 1-chloro-4-(chloromethyl)benzene. In addition, the molecular formula is C₇H₆Cl₂ and the molecular weight is 161.03. It is also called (4-chlorophenyl)methyl chloride. What's more, it is a kind of colorless to light yellow liquid and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 3.08; (3)ACD/LogD (pH 7.4): 3.08; (4)ACD/BCF (pH 5.5): 129.51; (5)ACD/BCF (pH 7.4): 129.51; (6)ACD/KOC (pH 5.5): 1131.33; (7)ACD/KOC (pH 7.4): 1131.33; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 0 Å²; (10)Index of Refraction: 1.546; (11)Molar Refractivity: 40.91 cm³; (12)Molar Volume: 129 cm³; (13)Polarizability: 16.21 ×10^-24cm³; (14)Surface Tension: 37 dyne/cm; (15)Density: 1.247 g/cm³; (16)Flash Point: 87.3 °C; (17)Enthalpy of Vaporization: 44.08 kJ/mol; (18)Boiling Point: 223 °C at 760 mmHg; (19)Vapour Pressure: 0.147 mmHg at 25°C.

Preparation of 4-Chlorobenzyl chloride: it can be prepared by (4-chloro-phenyl)-methanol. This reaction will need reagents CCl₄ and 1 percent cross-linked polymer (containing 2.50 mmol of phosphine/g). The reaction time is 3 hours by heating. The yield is about 100%.

4-Chlorobenzyl chloride can be prepared by (4-chloro-phenyl)-methanol

Uses of 4-Chlorobenzyl chloride: it can be used as organic synthesis intermediates, and used in pharmaceutical industry and dyestuff industry. In addition, it can react with 1,4-di-tert-butyl-benzene to get 2,5-di-tert-Butyl-4'-chlorodiphenylmethane. This reaction will need reagent TiCl₄ and solvent CHCl₃. The yield is about 80% at reaction temperature of 20-25 °C.

4-Chlorobenzyl chloride can react with 1,4-di-tert-butyl-benzene to get 2,5-di-tert-Butyl-4'-chlorodiphenylmethane

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you can not empty it into drains and release it to the environment. You can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(Cl)cc1
(2)InChI: InChI=1/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
(3)InChIKey: JQZAEUFPPSRDOP-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	unreported	5625mg/kg (5625mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(5), Pg. 13, 1990.
mouse	LD50	unreported	1156mg/kg (1156mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(5), Pg. 13, 1990.
rat	LD50	unreported	1075mg/kg (1075mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(5), Pg. 13, 1990.

Product Name

4-Chlorobenzyl chloride

Synthetic route

4-Chlorobenzyl chloride Specification

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