Product Name

  • Name

    3-Chlorobenzoic acid

  • EINECS 208-618-4
  • CAS No. 535-80-8
  • Article Data361
  • CAS DataBase
  • Density 1.374 g/cm3
  • Solubility Insoluble in water
  • Melting Point 153-157 °C(lit.)
  • Formula C7H5ClO2
  • Boiling Point 281.3 °C at 760 mmHg
  • Molecular Weight 156.569
  • Flash Point 123.9 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 535-80-8 (3-Chlorobenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Benzoicacid, m-chloro- (8CI);NSC 8443;m-Chlorobenzoic acid;
  • PSA 37.30000
  • LogP 2.03820

Synthetic route

3-Chlorobenzaldehyde
587-04-2

3-Chlorobenzaldehyde

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With cobalt(II) 2,9,16,23-phthalocyanine tetrasulfonic acid In water; acetonitrile at 20℃; under 760.051 Torr; for 150h; UV-irradiation;100%
With sodium perborate In acetic acid for 1.5h; steam bath;95%
With dihydrogen peroxide; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride In water; acetonitrile at 85℃; for 18h;94%
{iron(triphenylphosphine oxide)4}(ClO43)2

{iron(triphenylphosphine oxide)4}(ClO43)2

A

{((C6H5)3PO)4FeOOFe(OP(C6H5)3)4(H2O)2}(4+)*4ClO4(1-)={((C6H5)3PO)4FeOOFe(OP(C6H5)3)4(H2O)2}(ClO4)4

{((C6H5)3PO)4FeOOFe(OP(C6H5)3)4(H2O)2}(4+)*4ClO4(1-)={((C6H5)3PO)4FeOOFe(OP(C6H5)3)4(H2O)2}(ClO4)4

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With m-ClC6H4C(O)OOH In acetonitrile to soln. of Fe complex was added oxygenating agent (5-fold excess) and stirred for 30 min (H2O2 required several h for completion); soln. added slowly to great excess of ether, purple ppt. was formed; ppt. filtered, washed with ether and dried over BaSO4 or P2O5 in vac. for several days; elem. anal.;A 93%
B 100%
m-chlorobenzyl alcohol
873-63-2

m-chlorobenzyl alcohol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With Oxone; potassium bromide In water; acetonitrile at 20℃; for 24h; Reagent/catalyst; Solvent;99%
With oxygen; sodium t-butanolate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In dichloromethane at 20℃; for 30h; Reagent/catalyst; Molecular sieve;95%
With sodium hydroxide; benzyltrimethylazanium tribroman-2-uide In water at 70℃; for 17h;94%
1-chloro-3-methylbenzene
108-41-8

1-chloro-3-methylbenzene

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sulfuric acid; ozone; acetic acid; cerium(III) acetate at 16℃; for 1.25h;98%
With oxygen; Langlois reagent In acetonitrile at 25℃; for 12h; Irradiation; Green chemistry;92%
With copper(l) iodide; oxygen; nitric acid at 160℃; under 11251.1 - 18751.9 Torr; for 4.7h; Autoclave;86.5%
1-(m-Chlorophenyl)ethanol
120121-01-9, 135145-34-5, 6939-95-3

1-(m-Chlorophenyl)ethanol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sodium nitrate; water; oxygen In dimethyl sulfoxide at 130℃; for 24h;98%
With oxygen; sodium t-butanolate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In dichloromethane at 20℃; for 30h; Reagent/catalyst; Molecular sieve;83%
With Iron(III) nitrate nonahydrate; iodine; oxygen; dimethyl sulfoxide at 130℃; under 750.075 Torr; for 12h; Sealed tube; Green chemistry;67%
With Iron(III) nitrate nonahydrate; iodine; oxygen In dimethyl sulfoxide at 130℃; for 12h; Sealed tube;67%
3-chloro-benzenecarboperoxoic acid
937-14-4

3-chloro-benzenecarboperoxoic acid

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With 2,3-dicarboxyanthraquinone; oxygen In methanol for 24h; Irradiation;97%
With KO2 Mechanism;95%
With 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin; superoxide Mechanism; Product distribution; further reagent: superoxide, H2O;95%
3-chloro-benzonitrile
766-84-7

3-chloro-benzonitrile

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With benzene-1,2-dicarboxylic acid for 0.666667h; microwave-irradiation;97%
With potassium hydroxide In ethylene glycol at 170℃; for 7h;
methyl 3-chlorobenzoate
2905-65-9

methyl 3-chlorobenzoate

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sodium hydroxide In N,N-dimethyl-formamide for 0.5h; Ambient temperature;96%
With potassium hydroxide In toluene at 150℃; for 0.166667h; microwave irradiation;96%
With potassium hydroxide In methanol at 35℃; for 0.0833333h;86%
hydrolysis;
With selenium; sodium tetrahydroborate 1.) DMF, 80-90 deg C, 3 h, 2.) acidification; Yield given. Multistep reaction;
3-Chloro-benzoic acid 3-methyl-but-2-enyl ester

3-Chloro-benzoic acid 3-methyl-but-2-enyl ester

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With methoxybenzene In toluene for 12h; Heating;96%
3-Chloro-benzoic acid (E)-3-phenyl-allyl ester

3-Chloro-benzoic acid (E)-3-phenyl-allyl ester

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With methoxybenzene In toluene for 10h; Heating;96%
3-chloro-N,N-diisopropylbenzamide
35306-66-2

3-chloro-N,N-diisopropylbenzamide

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With hydrogenchloride; zinc(II) chloride at 160℃; for 72h;96%
3-chloro-benzonitrile
766-84-7

3-chloro-benzonitrile

A

3-chlorobenzamide
618-48-4

3-chlorobenzamide

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With potassium hydroxide In toluene at 150℃; for 0.166667h; microwave irradiation;A 2%
B 96%
With potassium hydroxide; cetyltrimethylammonim bromide In toluene at 100℃; for 0.166667h; microwave irradiation;A 88%
B 10%
1,2-bis(3-chlorophenyl)-1,2-ethanediol
37580-83-9

1,2-bis(3-chlorophenyl)-1,2-ethanediol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
Stage #1: 1,2-bis(3-chlorophenyl)-1,2-ethanediol With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 760.051 Torr; for 5h;
Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; chemoselective reaction;		96%
N-methyl-4-(4-methylsulphanyl-5-trifluoromethylpyrimidin-2-ylamino)-N-phenylbenzenesulphonamide
919116-77-1

N-methyl-4-(4-methylsulphanyl-5-trifluoromethylpyrimidin-2-ylamino)-N-phenylbenzenesulphonamide

3-chloro-benzenecarboperoxoic acid
937-14-4

3-chloro-benzenecarboperoxoic acid

A

4-(4-methanesulphinyl-5-trifluoromethylpyrimidin-2-ylamino)-N-methyl-N-phenylbenzenesulphonamide
919116-78-2

4-(4-methanesulphinyl-5-trifluoromethylpyrimidin-2-ylamino)-N-methyl-N-phenylbenzenesulphonamide

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
In dichloromethane at 20℃; for 3h;A 95%
B n/a
...Expand
1-(3-chlorophenyl)cyclohexanol
19920-86-6

1-(3-chlorophenyl)cyclohexanol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With iron(III) chloride; cerium(III) chloride; tetrabutyl-ammonium chloride; oxygen In acetonitrile at 20℃; under 760.051 Torr; for 24h; Schlenk technique; Irradiation;95%
N-acetyl-2-(m-chlorobenzoyloxy)-3,4-dihydro-3-hydroxy-2,3-diphenyl-2H-1,4-benzoxazine
85969-43-3

N-acetyl-2-(m-chlorobenzoyloxy)-3,4-dihydro-3-hydroxy-2,3-diphenyl-2H-1,4-benzoxazine

A

2-amino-phenol
95-55-6

2-amino-phenol

B

benzil
134-81-6

benzil

C

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sulfuric acid In methanol for 2.5h; Heating;A 67%
B 94%
C 79%
...Expand
5-(3-chlorophenyl)-3-[2-(piperidin-1-yl)ethyl]-1,2,4-oxadiazole

5-(3-chlorophenyl)-3-[2-(piperidin-1-yl)ethyl]-1,2,4-oxadiazole

A

2-amino-1,5-diazaspiro[4.5]dec-1-en-5-ium chloride

2-amino-1,5-diazaspiro[4.5]dec-1-en-5-ium chloride

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With hydrogenchloride; water In diethyl ether; ethanol pH=2;A 94%
B n/a
3-chlorophenylglyoxal
27700-54-5

3-chlorophenylglyoxal

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With pyrrolidine; dihydrogen peroxide In toluene at 25℃; for 2h;93%
With iodine; dimethyl sulfoxide at 180℃; for 0.0833333h; Inert atmosphere; Microwave irradiation;90%
With tert.-butylhydroperoxide for 6h;81%
5-Hydroxy-2-methylpyridine
1121-78-4

5-Hydroxy-2-methylpyridine

A

3-hydroxy-6-methylpyridine N-oxide
24207-00-9

3-hydroxy-6-methylpyridine N-oxide

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In chloroform for 6h;A 92%
B 72 g
2-((4-fluorophenyl)thio)ethanol
5322-63-4

2-((4-fluorophenyl)thio)ethanol

A

2-((4-fluorophenyl)sulfonyl)ethanol
28122-13-6

2-((4-fluorophenyl)sulfonyl)ethanol

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In acetonitrile at 20℃; for 22h; Inert atmosphere;A 92%
B n/a
3-chloro-benzoic acid benzyl ester
63987-52-0

3-chloro-benzoic acid benzyl ester

toluene
108-88-3

toluene

A

1-methyl-3-(phenylmethyl)-benzene
620-47-3

1-methyl-3-(phenylmethyl)-benzene

B

1-methyl-4-(phenylmethyl)benzene
620-83-7

1-methyl-4-(phenylmethyl)benzene

C

2-benzyltoluene
713-36-0

2-benzyltoluene

D

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;A n/a
B n/a
C n/a
D 91%
...Expand
1-chloro-3-(nitromethyl)benzene
38362-91-3

1-chloro-3-(nitromethyl)benzene

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With zinc diacetate; water; tetra-(n-butyl)ammonium iodide at 80℃; for 24h;91%
With water; tetra-(n-butyl)ammonium iodide at 80℃; for 15h; Reagent/catalyst;91%
With tetra-(n-butyl)ammonium iodide; acetic acid In water at 80℃; for 15h; Reagent/catalyst;90%
C11H11ClOS2

C11H11ClOS2

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sodium hydroxide In water at 100℃; for 9h; Reflux; chemoselective reaction;90%
3-chloro-benzoic acid benzyl ester
63987-52-0

3-chloro-benzoic acid benzyl ester

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate at 20℃; for 0.0833333h; chemoselective reaction;89%
carbon monoxide
201230-82-2

carbon monoxide

1-iodyl-3-chlorobenzene
16825-75-5

1-iodyl-3-chlorobenzene

A

3-iodochlorobenzene
625-99-0

3-iodochlorobenzene

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sodium tetrachloropalladate; sodium carbonate In water at 40℃; for 4.5h; Yields of byproduct given;A n/a
B 88%
With sodium tetrachloropalladate; sodium carbonate In water at 40℃; for 4.5h; Yield given;A n/a
B 88%
...Expand
m-chlorobenzylamine
4152-90-3

m-chlorobenzylamine

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With tert.-butylhydroperoxide at 120℃; for 5h; Ionic liquid;88%
With hydrogen bromide; sodium nitrite In water; dimethyl sulfoxide at 100℃;82%
2-(3-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
585524-80-7

2-(3-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

carbon dioxide
124-38-9

carbon dioxide

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
Stage #1: 2-(3-chlorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane; carbon dioxide With potassium tert-butylate; silver(I) acetate; triphenylphosphine In tetrahydrofuran at 70℃; under 15201 Torr; for 16h; Inert atmosphere; Autoclave;
Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;		87%
1-(3-chlorophenyl)-1,3-butanedione
128486-09-9

1-(3-chlorophenyl)-1,3-butanedione

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation;87%
1,2-dimethyl-3-ethylimidazolium iodide
141085-40-7

1,2-dimethyl-3-ethylimidazolium iodide

3-Chlorobenzaldehyde
587-04-2

3-Chlorobenzaldehyde

A

2-(3-chlorostyryl)-3-ethyl-1-methyl-1H-imidazol-3-ium iodide

2-(3-chlorostyryl)-3-ethyl-1-methyl-1H-imidazol-3-ium iodide

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
Stage #1: 1-ethyl-2,3-dimethylimidazolium iodide With caesium carbonate In tetrahydrofuran at 20℃; for 1h;
Stage #2: m-Chlorobenzaldehyde In tetrahydrofuran for 192h;		A n/a
B 87%
...Expand
3-Chlorobenzaldehyde
587-04-2

3-Chlorobenzaldehyde

A

m-chlorobenzyl alcohol
873-63-2

m-chlorobenzyl alcohol

B

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃; for 3h; Cannizzaro Reaction;A n/a
B 86%
With potassium hydroxide
With potassium hydroxide
Stage #1: m-Chlorobenzaldehyde In neat (no solvent) for 0.0333333h; Green chemistry;
Stage #2: With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 40℃; for 0.00833333h; Reagent/catalyst; Cannizzaro Reaction; Microwave irradiation; Green chemistry;
methanol
67-56-1

methanol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

methyl 3-chlorobenzoate
2905-65-9

methyl 3-chlorobenzoate

Conditions
ConditionsYield
With sulfuric acid for 4h; Reflux;100%
With tetrachlorosilane for 5h; Heating;97%
With sulfuric acid Reflux;97%
3-chlorobenzoate
535-80-8

3-chlorobenzoate

m-Chlorobenzoyl chloride
618-46-2

m-Chlorobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride at 80℃; for 3h;100%
Stage #1: 3-chlorobenzoate 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 for 2h; Reflux;91%
n-heptan1ol
111-70-6

n-heptan1ol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

n-Heptyl m-chlorobenzoate
80345-34-2

n-Heptyl m-chlorobenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
Benzyloxymethyl chloride
3587-60-8

Benzyloxymethyl chloride

3-chlorobenzoate
535-80-8

3-chlorobenzoate

benzyloxymethyl 3-chlorobenzoate
1562675-13-1

benzyloxymethyl 3-chlorobenzoate

Conditions
ConditionsYield
at 20℃; Alkaline conditions; Inert atmosphere;100%
(3R)-N-(4'-aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride

(3R)-N-(4'-aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride

3-chlorobenzoate
535-80-8

3-chlorobenzoate

(3R)-N-{4'-[(3-Chlorobenzoyl)amino]biphenyl-4-yl}quinuclidine-3-carboxamide hydrochloride

(3R)-N-{4'-[(3-Chlorobenzoyl)amino]biphenyl-4-yl}quinuclidine-3-carboxamide hydrochloride

Conditions
ConditionsYield
Stage #1: (3R)-N-(4'-aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; 3-chlorobenzoate With pyridine at 20℃; for 3h;
Stage #2: With hydrogenchloride In water		98.5%
aniline
62-53-3

aniline

3-chlorobenzoate
535-80-8

3-chlorobenzoate

3-chloro-N-phenylbenzamide
6832-92-4

3-chloro-N-phenylbenzamide

Conditions
ConditionsYield
at 180℃; Neat (no solvent);98%
With nano sulfated-TiO2 at 115℃; under 760.051 Torr; for 3.5h; Neat (no solvent);98%
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;97%
n-Pent-4-enyl alcohol
821-09-0

n-Pent-4-enyl alcohol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

pent-4-en-1-yl 3-chlorobenzoate
99893-72-8

pent-4-en-1-yl 3-chlorobenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h;98%
N-methoxy-2-(prop-1-en-2-yl)benzamide

N-methoxy-2-(prop-1-en-2-yl)benzamide

3-chlorobenzoate
535-80-8

3-chlorobenzoate

(2-methoxy-1-methyl-3-oxoisoindolin-1-yl)methyl 3-chlorobenzoate

(2-methoxy-1-methyl-3-oxoisoindolin-1-yl)methyl 3-chlorobenzoate

Conditions
ConditionsYield
With [2,2]bipyridinyl; oxygen; palladium diacetate In tetrahydrofuran at 60℃; under 760.051 Torr; for 12h; Schlenk technique; Molecular sieve;98%
3-chlorobenzoate
535-80-8

3-chlorobenzoate

isopropenylbenzene
98-83-9

isopropenylbenzene

1-iodo-2-phenylpropan-2-yl 3-chlorobenzoate

1-iodo-2-phenylpropan-2-yl 3-chlorobenzoate

Conditions
ConditionsYield
With tetrabutylammonium 1,3-bis(3-chlorobenzoyl)dioxiodane In dichloromethane at 30℃; for 12h; Schlenk technique; regioselective reaction;98%
o-methoxystyrene
612-15-7

o-methoxystyrene

3-chlorobenzoate
535-80-8

3-chlorobenzoate

2-iodo-1-(2-methoxyphenyl)ethyl 3-chlorobenzoate

2-iodo-1-(2-methoxyphenyl)ethyl 3-chlorobenzoate

Conditions
ConditionsYield
With tetrabutylammonium 1,3-bis(3-chlorobenzoyl)dioxiodane In dichloromethane at 30℃; for 12h; Schlenk technique; regioselective reaction;98%
thiophenol
108-98-5

thiophenol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

3-Chlor-thiobenzoesaeure-S-phenylester
97839-36-6

3-Chlor-thiobenzoesaeure-S-phenylester

Conditions
ConditionsYield
Stage #1: 3-chlorobenzoate With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.166667h;
Stage #2: thiophenol In dichloromethane at 0 - 20℃; for 5h;		98%
benzoxazole
273-53-0

benzoxazole

3-chlorobenzoate
535-80-8

3-chlorobenzoate

2‐(3‐chlorophenyl)benzo[d]oxazole
22868-29-7

2‐(3‐chlorophenyl)benzo[d]oxazole

Conditions
ConditionsYield
With dmap; copper (II)-fluoride; palladium diacetate; 2,2-dimethylpropanoic anhydride; 1,4-di(diphenylphosphino)-butane In 1,4-dioxane at 160℃; for 15h; Schlenk technique; Inert atmosphere; chemoselective reaction;98%
3-chlorobenzoate
535-80-8

3-chlorobenzoate

5-chloro-2-nitrobenzoic-15N acid

5-chloro-2-nitrobenzoic-15N acid

Conditions
ConditionsYield
With sulfuric acid at 25 - 40℃; for 3h;97.2%
3-chlorobenzoate
535-80-8

3-chlorobenzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With borane-ammonia complex In water; isopropyl alcohol at 40℃; for 3h; Sealed tube;97%
With ammonium formate; palladium on activated charcoal In methanol; water for 0.166667h;
With sodium hydroxide; sodium formate; palladium on charcoal In water
Stage #1: 3-chlorobenzoate With 1,2-diphenyl-1,2-disodiumethane In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere;
Stage #2: With hydrogenchloride In water at 20℃;		> 95 %Spectr.
3-chlorobenzoate
535-80-8

3-chlorobenzoate

(2-acetylphenyl)boronic acid
308103-40-4

(2-acetylphenyl)boronic acid

2'-acetylbiphenyl-3-carboxylic acid

2'-acetylbiphenyl-3-carboxylic acid

Conditions
ConditionsYield
With sodium 2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐[1,1'‐biphenyl]‐3‐sulfonate; palladium diacetate; potassium carbonate In water at 100℃; for 10h; Suzuki-Miyaura coupling;97%

3-Chlorobenzoic acid Standards and Recommendations

3-Chlorobenzoic acid composition
Content       ≥99%
WATER       ≤0.5%

3-Chlorobenzoic acid Specification

The Benzoicacid, 3-chloro-, with the CAS registry number 535-80-8, is also known as m-Chlorobenzoic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organics; Nitrile; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 208-618-4. This chemical's molecular formula is C7H5ClO2 and molecular weight is 156.57. What's more, its systematic name is 3-chlorobenzoic acid. Its classification code is Drug / Therapeutic Agent. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is incompatible with strong oxidizing agents. It is used as an intermediate for the synthesis of organic compounds including pharmaceuticals and dyes.

Physical properties of Benzoicacid, 3-chloro- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 38.07 cm3; (15)Molar Volume: 113.9 cm3; (16)Polarizability: 15.09×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.374 g/cm3; (19)Flash Point: 123.9 °C; (20)Enthalpy of Vaporization: 54.93 kJ/mol; (21)Boiling Point: 281.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00171 mmHg at 25°C.

Preparation of Benzoicacid, 3-chloro-: this chemical can be prepared by 3-chloro-benzaldehyde by heating. This reaction will need reagents 30% H2O2, SeO2 and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 93%.

Benzoicacid, 3-chloro- can be prepared by 3-chloro-benzaldehyde by heating

Uses of Benzoicacid, 3-chloro-: it can be used to produce 3-chloro-benzoic acid phenacyl ester by heating. It will need reagents Na2CO3, H2O and solvent ethanol with the reaction time of 2 hours. The yield is about 92%.

Benzoicacid, 3-chloro- can be used to produce 3-chloro-benzoic acid phenacyl ester by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Cl)ccc1
(2)Std. InChI: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
(3)Std. InChIKey: LULAYUGMBFYYEX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 750mg/kg (750mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

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