3,5-Dichlorobenzoic acid supplier

Name
3,5-Dichlorobenzoic acid
EINECS 200-092-4
CAS No. 51-36-5
Article Data33
CAS DataBase
Density 1.517 g/cm³
Solubility 147.1mg/L(temperature not stated)
Melting Point 184-187 °C(lit.)
Formula C₇H₄Cl₂O₂
Boiling Point 309.1 °C at 760 mmHg
Molecular Weight 191.014
Flash Point 140.7 °C
Transport Information UN 2398 3/PG 2
Appearance white to beige powder
Safety 26-37/39-36-24/25-16
Risk Codes 36/37/38-40
Molecular Structure
Hazard Symbols Xi, Xn, F
Synonyms Benzoic acid, 3,5-dichloro-;
PSA 37.30000
LogP 2.69160

Synthetic route

: 108-70-3
1,3,5-trichlorobenzene

: 124-38-9
carbon dioxide

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 1,3,5-trichlorobenzene With magnesium; ethylene dibromide; lithium chloride In tetrahydrofuran at 25℃; for 0.5h; Stage #2: carbon dioxide In tetrahydrofuran at 25℃; for 1h; Further stages;	99%

: 6575-00-4
3,5-dichlorobenzonitrile

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water; sodium hydroxide for 6h; Reflux;	93%
With sulfuric acid

: 650598-41-7
3,5-dichloro-4-(triethylsilyl)benzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water for 2h; Heating;	91%

: 124-38-9
carbon dioxide

: 19752-55-7
1-bromo-3,5-dichlorobenzene

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-3,5-dichlorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78 - 20℃;	80.1%

: 541-42-4
i-propyl nitrite

: 118-92-3
anthranilic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With chlorine In hydrogenchloride; ethanol; water	75%

: 2789-92-6
3,5-dichloroantranilic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With tetrahydrofuran; tert.-butylnitrite; dimethyl sulfoxide at 30℃; for 1h; Green chemistry;	64%
In ethanol
With sodium nitrite In water; isopropyl alcohol
With hydrogenchloride; sodium nitrite In ethanol; water
With sodium nitrite In water; isopropyl alcohol

: 5-carboxyphenylene-1,3-bisdiazonium tetrafluoroborate

: 79-06-1
2-propenamide

A: 51-36-5
3,5-dichlorobenzoic acid

B: 3-(3-amino-2-chloro-3-oxopropyl)-5-chlorobenzoic acid

Conditions

Conditions	Yield
With copper(II) tetrafluroborate hexahydrate; sodium chloride In water; acetone at -25 - 10℃; for 1h; Sandmeyer Reaction; chemoselective reaction;	A 21% B 40%

...Expand

: 10203-08-4
3,5-dichlorobenzaldehyde

A: 60211-57-6
3,5-dichlorobenzyl alcohol

B: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide
With potassium hydroxide

: 535-87-5
3.5-diaminobenzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With copper chloride Diazotization;

: 25186-47-4
3,5-dichlorotoluene

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With nitric acid at 170℃;
With chlorine at 185 - 190℃; Irradiation.anschliessendes Behandeln mit H2SO4 <8prozent SO3 enthaltend>;

: 89678-02-4
3-nitro-5-sulfo-benzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With phosphorus pentachloride at 180 - 200℃;

: 56961-25-2
4-amino-3,5-dichlorobenzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium disulphite; nitric acid Diazotization.Erwaermen der Diazoloesung mit Alkohol und Kupfersulfat;
With hydrogenchloride; copper(l) chloride; sodium nitrite 1) DMF 2) a) 30 min, 0-5 deg C b) 1h, r.t. c) 70 deg C; Yield given. Multistep reaction;

: 56961-25-2
4-amino-3,5-dichlorobenzoic acid

A: 51-36-5
3,5-dichlorobenzoic acid

B: 618-62-2
3,5-dichloro-1-nitrobenzene

Conditions

Conditions	Yield
With potassium disulphite; nitric acid Diazotization.Erwaermen der mit Eiswasser verduennten Diazoniumsalz-Loesung mit Alkohol in Gegenwart von Kupfersulfat;

: 147-93-3
Thiosalicylic acid

A: 51-36-5
3,5-dichlorobenzoic acid

B: 69135-70-2
2,2'-dithiobis<5-chlorobenzoic acid>

Conditions

Conditions	Yield
With tetrachloromethane; chlorine; iron(III) chloride Erhitzen der in Wasser loeslichen Anteile des Reaktionsprodukts mit wss. Ammoniak;

: 108-70-3
1,3,5-trichlorobenzene

: 124-38-9
carbon dioxide

A: 51-36-5
3,5-dichlorobenzoic acid

B: 108-90-7
chlorobenzene

C: 535-80-8
3-chlorobenzoate

D: 541-73-1
1,3-Dichlorobenzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yield given. Yields of byproduct given;

...Expand

: 10203-08-4
3,5-dichlorobenzaldehyde

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With rat hepatic microsomal aldehyde dehydrogenase; NAD In phosphate buffer; N,N-dimethyl-formamide at 37℃; pH=7.4; Enzyme kinetics; Dehydrogenation;

: 56-23-5
tetrachloromethane

: 7782-50-5
chlorine

: 7705-08-0
iron(III) chloride

: 147-93-3
Thiosalicylic acid

A: 51-36-5
3,5-dichlorobenzoic acid

B: 69135-70-2
2,2'-dithiobis<5-chlorobenzoic acid>

C: 535-80-8
3-chlorobenzoate

Conditions

Conditions	Yield
at 20℃; Erhitzen der in Wasser loeslichen Anteile des Reaktionsprodukts mit wss. Ammoniak;

...Expand

: 25186-47-4
3,5-dichlorotoluene

: 7697-37-2
nitric acid

: 51-36-5
3,5-dichlorobenzoic acid

: 14401-72-0
3',5'-dichloroacetophenone

aqueous KOH-solution: aqueous KOH-solution

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
at 145℃;

: 34883-41-5
3,5-dichlorobiphenyl

: 64-19-7
acetic acid

chromium trioxide: chromium trioxide

: 51-36-5
3,5-dichlorobenzoic acid

...Expand

: 56961-85-4
1,3-dichloro-5-dichloromethyl-benzene

: 7732-18-5
water

Ca(OH)2: Ca(OH)2

A: 60211-57-6
3,5-dichlorobenzyl alcohol

B: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
at 200℃;

...Expand

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 89678-02-4
3-nitro-5-sulfo-benzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
at 180 - 200℃; Kochen das Reaktionsprodukt mit Kalilauge;

: 56961-25-2
4-amino-3,5-dichlorobenzoic acid

: 7697-37-2
nitric acid

K2S2O5: K2S2O5

A: 51-36-5
3,5-dichlorobenzoic acid

B: 618-62-2
3,5-dichloro-1-nitrobenzene

Conditions

Conditions	Yield
Erwaermen der erhaltenen Diazoniumsalz-Loesung mit waessrig-alkoholischer Kupfersulfatloesung.Diazotization;

...Expand

: 541-73-1
1,3-Dichlorobenzene

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 89 percent / sec-butyllithium / cyclohexane; tetrahydrofuran / -75 °C 2: 71 percent / sec-butyllithium / cyclohexane; tetrahydrofuran / 0.75 h / -75 °C 3: 91 percent / potassium hydroxide / methanol; H2O / 2 h / Heating View Scheme

: 650598-44-0
(2,6-dichlorophenyl)triethylsilane

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 71 percent / sec-butyllithium / cyclohexane; tetrahydrofuran / 0.75 h / -75 °C 2: 91 percent / potassium hydroxide / methanol; H2O / 2 h / Heating View Scheme

: 150-13-0
4-amino-benzoic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 45 percent / SO2Cl2 / acetic acid / 1.42 h / 60 °C 2: 1) NaNO2, conc. HCl 2) CuCl, dil. HCl / 1) DMF 2) a) 30 min, 0-5 deg C b) 1h, r.t. c) 70 deg C View Scheme

: 18931-78-7
N-(2-chloro-4-methylphenyl)acetamide

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: glacial acetic acid; chlorine 2: concentrated hydrochloric acid / 100 - 120 °C 3: concentrated sulfuric acid; ethyl nitrite; alcohol 4: diluted nitric acid / 170 °C View Scheme

: 56461-98-4
2,6-dichloro-4-methylaniline

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated sulfuric acid; ethyl nitrite; alcohol 2: diluted nitric acid / 170 °C View Scheme

: 99520-03-3
acetic acid-(2,6-dichloro-4-methyl-anilide)

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: concentrated hydrochloric acid / 100 - 120 °C 2: concentrated sulfuric acid; ethyl nitrite; alcohol 3: diluted nitric acid / 170 °C View Scheme

: 51-36-5
3,5-dichlorobenzoic acid

: 2905-62-6
3,5-dichlorobenzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride for 5h; Reflux;	100%
With thionyl chloride; N,N-dimethyl-formamide In toluene for 3h; Reflux;	100%
With thionyl chloride

: 51-36-5
3,5-dichlorobenzoic acid

: 144222-22-0
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

: 1071874-95-7
tert-butyl 4-{[(3,5-dichlorobenzoyl)amino]methyl}piperidine-1-carboxylate

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃;	100%
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h;

: 51-36-5
3,5-dichlorobenzoic acid

: 4-((2-aminobenzo[d]thiazol-6-yl)oxy)-N-methylpicolinamide

: 4-((2-(3,5-dichlorobenzamido)benzo[d]thiazol-6-yl)oxy)-N-methylpicolinamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	100%

: 51-36-5
3,5-dichlorobenzoic acid

: C20H18O3

: C27H20Cl2O4

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 16h;	99%

: 51-36-5
3,5-dichlorobenzoic acid

: 3290-06-0
1,3-dichloro-5-chloromethyl-benzene

Conditions

Conditions	Yield
Stage #1: 3,5-dichlorobenzoic acid With sodium tetrahydroborate In tetrahydrofuran at 60℃; for 0.2h; Inert atmosphere; Stage #2: With potassium chloride In tetrahydrofuran at 110℃; under 1520.1 Torr; for 4h; Temperature; Reagent/catalyst; Solvent; Pressure; Sonication; Inert atmosphere;	98.8%
Multi-step reaction with 2 steps 1: LiAlH4 / tetrahydrofuran / 0 °C / r.t., overnight 2: SOCl2 / 2 h / reflux View Scheme
Multi-step reaction with 2 steps 1: borane-THF / tetrahydrofuran / 2 h / 0 - 20 °C 2: thionyl chloride / 2 h / 60 °C View Scheme

: 4930-98-7
pyrid-2-ylhydrazine

: 51-36-5
3,5-dichlorobenzoic acid

: 3,5-dichloro-benzoic acid N'-pyridin-2-yl-hydrazide

Conditions

Conditions	Yield
With 4-methyl-morpholine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate In dichloromethane for 2h;	98%

: 3731-51-9
(2-aminomethylpyridine)

: 51-36-5
3,5-dichlorobenzoic acid

: 710319-29-2
C13H10Cl2N2O

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane for 2h;	97%

: 150709-19-6
(2R,4S)-2-benzyl-4-piperidine azide

: 51-36-5
3,5-dichlorobenzoic acid

: 150709-22-1
(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)-4-piperidine azide

Conditions

Conditions	Yield
With thionyl chloride	96%

: 5-tert-butyl-1-(2-hydroxy-3-methoxypropyl)azepan-2-one

: 51-36-5
3,5-dichlorobenzoic acid

: 1-(5-tert-butyl-2-oxoazepan-1-yl)-3-methoxypropan-2-yl 3,5-dichlorobenzoate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃;	96%

: 51-36-5
3,5-dichlorobenzoic acid

: 126918-33-0
(1S)-1-<(2R)-2-(2,4-difluorophenyl)-2-oxiranyl>ethanol

: C17H12Cl2F2O3

Conditions

Conditions	Yield
Stage #1: 3,5-dichlorobenzoic acid With di-isopropyl azodicarboxylate; triphenylphosphine In toluene at 0℃; for 1.5h; Stage #2: (1S)-1-<(2R)-2-(2,4-difluorophenyl)-2-oxiranyl>ethanol In toluene for 2h;	96%

: 51-36-5
3,5-dichlorobenzoic acid

: 23082-45-3
3,5-dichloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 20℃; for 2.5h;	95.3%
With Concentrated HNO3 In sulfuric acid; water	94%
With sulfuric acid; nitric acid at 0℃;	80%

: 51-36-5
3,5-dichlorobenzoic acid

: 124-41-4
sodium methylate

: 82477-67-6
3-chloro-5-methoxy-benzoic acid

Conditions

Conditions	Yield
With HMPA at 120℃; for 48h;	95%
With N,N,N,N,N,N-hexamethylphosphoric triamide In methanol at 115 - 120℃; for 15h;	80%
With N,N,N,N,N,N-hexamethylphosphoric triamide at 115 - 120℃; for 15h;	54%

: 51-36-5
3,5-dichlorobenzoic acid

: 38330-80-2
monomethyl monopotassium malonate

: methyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

Conditions

Conditions	Yield
Stage #1: monomethyl monopotassium malonate With magnesium chloride In tetrahydrofuran Reflux; Stage #2: 3,5-dichlorobenzoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃;	95%

: 51-36-5
3,5-dichlorobenzoic acid

: 37960-84-2
[3,5-D2]benzoic acid

Conditions

Conditions	Yield
With deuterated hypophosphorous acid; palladium 10% on activated carbon; sodium carbonate In water-d2 at 50℃; regioselective reaction;	94%

: 51-36-5
3,5-dichlorobenzoic acid

: 2-(3-formyl-2-oxoquinolin-1(2H)-yl)acetohydrazide

: 1-((5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-1,2-dihydro-2-oxoquinoline-3-carbaldehyde

Conditions

Conditions	Yield
With trichlorophosphate at 110 - 120℃; Reflux;	93%

: 98-10-2
benzenesulfonamide

: 51-36-5
3,5-dichlorobenzoic acid

: N-(phenylsulfonyl)-3,5-dichlorobenzamide

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18h; Inert atmosphere;	93%

: 51-36-5
3,5-dichlorobenzoic acid

: tert-butyl 4-(azetidin-3-ylmethoxy)-5-cyclopropyl-2-fluorobenzoate

: tert-butyl 5-cyclopropyl-4-((1-(3,5-dichlorobenzoyl)azetidin-3-yl)methoxy)-2-fluorobenzoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18h;	92%

: 51-36-5
3,5-dichlorobenzoic acid

: methyl-5-cyclopropyl-2-fluoro-4-(piperidin-4-ylmethoxy)-benzoate hydrochloride

: methyl 5-cyclopropyl-4-((1-(3,5-dichlorobenzoyl)piperidin-4-yl)methoxy)-2-fluorobenzoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18h;	92%

: 70125-16-5
2-amino-8-quinolinol

: 51-36-5
3,5-dichlorobenzoic acid

: 2-aminoquinolin-8-yl 3,5-dichlorobenzoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 3h; Reagent/catalyst; Cooling with ice; Inert atmosphere; chemoselective reaction;	90%

: 51-36-5
3,5-dichlorobenzoic acid

: 28719-55-3, 7065-17-0
triphenylbismuth dibromide

: bis(3,5‐dichlorobenzoato)triphenyl bismuth (V)

Conditions

Conditions	Yield
With triethylamine In toluene for 2h; Inert atmosphere;	90%

: 121882-74-4
tris(p‐tolyl)bismuth dibromide

: 51-36-5
3,5-dichlorobenzoic acid

: bis(3,5‐dichlorobenzoato)tris(p‐tolyl)bismuth(V)

Conditions

Conditions	Yield
With triethylamine In toluene for 2h; Inert atmosphere;	90%

: 51-36-5
3,5-dichlorobenzoic acid

: 1071540-44-7, 190516-88-2
5,7-dimethoxy-1H-quinolin-4-one

: 1186387-83-6
5,7-dimethoxyquinolin-4-yl 3,5-dichlorobenzoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;	88%

: 65408-91-5
goniothalenol

: 51-36-5
3,5-dichlorobenzoic acid

: (2R,3R,3aR,7aS)-5-oxo-2-phenyl-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-3-yl 3,5-dichlorobenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	88%

: 51-36-5
3,5-dichlorobenzoic acid

: 151094-90-5
3-amino-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

: C11H8N3OS2C6H3Cl2

Conditions

Conditions	Yield
With trichlorophosphate Heating;	87%

: 51-36-5
3,5-dichlorobenzoic acid

: 60211-57-6
3,5-dichlorobenzyl alcohol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 0 - 20℃; for 2h;	86.9%
With lithium aluminium tetrahydride; potassium borohydride In tetrahydrofuran at 5 - 20℃; for 3h;	75%
With lithium aluminium tetrahydride
With sodium hydroxide; polymethylhydrosiloxane; tetrabutyl ammonium fluoride 1.) THF, room t., 2.) THF; Yield given. Multistep reaction;
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Reduction; r.t., overnight;

: 64-18-6
formic acid

: 51-36-5
3,5-dichlorobenzoic acid

: 2-[5-amino-2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]indazol-6-yl]propan-2-ol trifluoroacetate

: 3,5-dichloro-N-[2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(1-hydroxy-1-methyl-ethyl)indazol-5-yl]benzamide formate

Conditions

Conditions	Yield
Stage #1: 3,5-dichlorobenzoic acid; 2-[5-amino-2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]indazol-6-yl]propan-2-ol trifluoroacetate With 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 1h; Inert atmosphere; Stage #2: formic acid Inert atmosphere;	86%

...Expand

: 51-36-5
3,5-dichlorobenzoic acid

: 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide

: 4-(3,5-dichlorobenzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;	85%

3,5-Dichlorobenzoic acid Specification

The IUPAC name of 3,5-Dichlorobenzoic acid is 3,5-dichlorobenzoic acid. With the CAS registry number 51-36-5, it is also named as Benzoic acid, 3,5-dichloro-. The product's categories are Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic Acids; Alpha Sort; D; D Alphabetic; DIA - DIC; Pesticides & Metabolites; C7; Carbonyl Compounds; Carboxylic Acids; 500 Series Drinking Water Methods; DIA - DICEPA; Method 552; Volatiles / Semivolatiles. Besides, it is white to beige powder, which should be stored at 2-8 °C. In addition, its molecular formula is C₇H₄Cl₂O₂ and molecular weight is 191.01.

The other characteristics of this product can be summarized as: (1)EINECS: 200-092-4; (2)ACD/LogP: 3.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.91; (5)ACD/LogD (pH 7.4): 0.84; (6)ACD/BCF (pH 5.5): 5.49; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 31.62; (9)ACD/KOC (pH 7.4): 2.66; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 42.97 cm³; (15)Molar Volume: 125.8 cm³; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.517 g/cm³; (18)Flash Point: 140.7 °C; (19)Melting Point: 184-190 °C; (20)Enthalpy of Vaporization: 58.06 kJ/mol; (21)Boiling Point: 309.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000282 mmHg at 25 °C.

Uses of 3,5-Dichlorobenzoic acid: this chemical can be used as as pesticide intermediate and pharmaceutical intermediate. Additionally, it can react with Allyl isopropenyl dicarbonate to get 3,5-Dichloro-benzoic acid allyl ester.
This reaction needs DMAP and Acetonitrile at ambient temperature for 2 hours. The yield is 84 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. And limited evidence of a carcinogenic effect. Please keep away from sources of ignition. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)O
(2)InChI: InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(3)InChIKey: CXKCZFDUOYMOOP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	237mg/kg (237mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse	LD50	subcutaneous	250mg/kg (250mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

Product Name

3,5-Dichlorobenzoic acid

Synthetic route

3,5-Dichlorobenzoic acid Specification

Related Products

Hot Products