Product Name

  • Name

    3,6-DICHLORO-2-HYDROXY BENZOIC ACID

  • EINECS 222-275-8
  • CAS No. 3401-80-7
  • Article Data21
  • CAS DataBase
  • Density 1.665 g/cm3
  • Solubility
  • Melting Point approximate 195℃ (dec.)
  • Formula C7H4Cl2O3
  • Boiling Point 306.7 °C at 760 mmHg
  • Molecular Weight 207.013
  • Flash Point 139.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3401-80-7 (3,6-DICHLORO-2-HYDROXY BENZOIC ACID)
  • Hazard Symbols
  • Synonyms Salicylicacid, 3,6-dichloro- (6CI,7CI,8CI);2-Hydroxy-3,6-dichlorobenzoic acid;3,6-DCSA;3,6-Dichloro-2-hydroxybenzoic acid;3,6-Dichlorosalicylic acid;2-hydroxy-3,6-dichlorobenzoic acid;3,6-dichloro-2-hydroxybenzoic acid;benzoic acid, 3,6-dichloro-2-hydroxy-;Dicamba metabolite;
  • PSA 57.53000
  • LogP 2.39720

Synthetic route

4-bromo-3,6-dichlorosalicylic acid

4-bromo-3,6-dichlorosalicylic acid

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
at 50℃; for 1h; Alkaline conditions;99%
With tin; sodium hydroxide In water at 50℃; for 1h; Reagent/catalyst; Temperature;98%
Stage #1: 5-bromo-3,6-dichlorosalicylic acid With 5%-palladium/activated carbon; hydrogen In water; ethyl acetate at 20℃; under 760.051 Torr; for 1h;
Stage #2: With sodium hydroxide In water; ethyl acetate for 5h;		77%
3,6-dichloro-2-hydroxybenzaldehyde
27164-09-6

3,6-dichloro-2-hydroxybenzaldehyde

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With sodium dihydrogenphosphate; sodium chlorite trihydrate; aminosulfonic acid In 1,4-dioxane; water at 0 - 20℃; for 1h;88%
2,3,6-trichlorobenzoate sodium salt

2,3,6-trichlorobenzoate sodium salt

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With methanol; sodium hydroxide at 130℃; under 6000.6 Torr; for 5h; Temperature; Pressure; Inert atmosphere;80%
carbon dioxide
124-38-9

carbon dioxide

2,5-dichlorophenol
583-78-8

2,5-dichlorophenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Stage #1: 2,5-dichlorophenol With potassium hydroxide; zinc In 5,5-dimethyl-1,3-cyclohexadiene at 130 - 135℃; for 0.5h; Inert atmosphere; Autoclave;
Stage #2: carbon dioxide at 130 - 140℃; under 30003 Torr; Inert atmosphere; Autoclave;
Stage #3: With hydrogenchloride In water at 60 - 80℃; pH=0 - 1; Reagent/catalyst; Solvent; Autoclave;		75.3%
Stage #1: 2,5-dichlorophenol With potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; water
Stage #2: carbon dioxide at 100℃; under 25858.1 Torr; for 3h;		42%
With potassium carbonate at 160℃; under 45004.5 Torr; for 7h; Time; Reagent/catalyst; Kolbe-Schmidt Synthesis;27.7%
With potassium carbonate In 5,5-dimethyl-1,3-cyclohexadiene at 35 - 120℃; under 26252.6 - 37503.8 Torr; for 1.5h;
carbon dioxide
124-38-9

carbon dioxide

potassium salt of 2,5-dichlorophenol
68938-81-8

potassium salt of 2,5-dichlorophenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate at 160℃; under 45004.5 Torr; for 4h; Time; Reagent/catalyst; Temperature; Pressure; Kolbe-Schmidt Synthesis;52.9%
potassium-<2.5-dichloro-phenolate>

potassium-<2.5-dichloro-phenolate>

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With carbon dioxide at 130 - 140℃; under 29420.3 Torr;
sodium-<2.5-dichloro-phenolate>

sodium-<2.5-dichloro-phenolate>

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With carbon dioxide at 130 - 140℃; under 29420.3 Torr;
diethyl ether
60-29-7

diethyl ether

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With sulfuric acid In water
2,5-dichlorophenol
583-78-8

2,5-dichlorophenol

potassium salt of 2,5-dichlorophenol
68938-81-8

potassium salt of 2,5-dichlorophenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With potassium hydroxide; carbon dioxide; potassium carbonate In 5,5-dimethyl-1,3-cyclohexadiene; water
3,6-dichloro-O-anisic acid
1918-00-9

3,6-dichloro-O-anisic acid

A

formaldehyd
50-00-0

formaldehyd

B

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With oxygen
4-bromo-3,6-dichlorosalicylic acid

4-bromo-3,6-dichlorosalicylic acid

A

3-Chloro-2-hydroxybenzoic acid
1829-32-9

3-Chloro-2-hydroxybenzoic acid

B

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen; sodium acetate; acetic acid In water at 20℃; under 760.051 Torr; for 16h; Reagent/catalyst; Solvent; Temperature;
5-bromo-3-chloro-2-hydroxybenzoic acid
2200-85-3

5-bromo-3-chloro-2-hydroxybenzoic acid

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iodine; sulfur trioxide; chlorine; sulfuric acid / 5.5 h / 5 - 33 °C
2: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 2 steps
1.1: chlorine; iodine; sulfuric acid / 3.5 h / 5 - 35 °C
2.1: 5%-palladium/activated carbon; hydrogen / water; ethyl acetate / 1 h / 20 °C / 760.05 Torr
2.2: 5 h
View Scheme
Multi-step reaction with 2 steps
1: sulfur trioxide; iodine / 50 °C
2: 1 h / 50 °C / Alkaline conditions
View Scheme
Multi-step reaction with 2 steps
1: chlorine; sulfur trioxide; iodine / 35 °C
2: tin; sodium hydroxide / 1 h / 50 °C
View Scheme
Multi-step reaction with 2 steps
1: chlorine; sulfur trioxide; iodine / 35 °C
2: potassium hydroxide; zinc / 1 h / 30 °C / Inert atmosphere
View Scheme
5-bromo-3-chloro-2-hydroxybenzoic acid
2200-85-3

5-bromo-3-chloro-2-hydroxybenzoic acid

A

3-Chloro-2-hydroxybenzoic acid
1829-32-9

3-Chloro-2-hydroxybenzoic acid

B

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iodine; sulfur trioxide; chlorine; sulfuric acid / 5.5 h / 5 - 33 °C
2: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
5-bromosalicyclaldehyde
1761-61-1

5-bromosalicyclaldehyde

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: chlorine; acetic acid / 4 h / 20 °C
2: iodine; sulfur trioxide; chlorine; sulfuric acid / 24 h / 35 °C
3: 5%-palladium/activated carbon; hydrogen; potassium acetate; acetic acid / 18 h / 760.05 Torr
4: aminosulfonic acid; sodium dihydrogenphosphate; sodium chlorite trihydrate / water; 1,4-dioxane / 1 h / 0 - 20 °C
View Scheme
5-bromo-3-chloro-2-hydroxybenzaldehyde
19652-33-6

5-bromo-3-chloro-2-hydroxybenzaldehyde

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: iodine; sulfur trioxide; chlorine; sulfuric acid / 24 h / 35 °C
2: 5%-palladium/activated carbon; hydrogen; potassium acetate; acetic acid / 18 h / 760.05 Torr
3: aminosulfonic acid; sodium dihydrogenphosphate; sodium chlorite trihydrate / water; 1,4-dioxane / 1 h / 0 - 20 °C
View Scheme
3-bromo-2,5-dichloro-6-hydroxy-benzaldehyde

3-bromo-2,5-dichloro-6-hydroxy-benzaldehyde

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 5%-palladium/activated carbon; hydrogen; potassium acetate; acetic acid / 18 h / 760.05 Torr
2: aminosulfonic acid; sodium dihydrogenphosphate; sodium chlorite trihydrate / water; 1,4-dioxane / 1 h / 0 - 20 °C
View Scheme
5-bromosalicyclic acid
89-55-4

5-bromosalicyclic acid

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
1.2: 5 - 30 °C
2.1: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 2 steps
1: iodine; trichloroisocyanuric acid; sulfuric acid / 5 h / 0 - 70 °C
2: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide; sodium hypochlorite / 0 °C
1.2: 5 h / 40 °C
2.1: iodine; sulfur trioxide; chlorine; sulfuric acid / 5.5 h / 5 - 33 °C
3.1: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
5-bromosalicyclic acid
89-55-4

5-bromosalicyclic acid

A

3-Chloro-2-hydroxybenzoic acid
1829-32-9

3-Chloro-2-hydroxybenzoic acid

B

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iodine; trichloroisocyanuric acid; sulfuric acid / 5 h / 0 - 70 °C
2: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide; sodium hypochlorite / 0 °C
1.2: 5 h / 40 °C
2.1: iodine; sulfur trioxide; chlorine; sulfuric acid / 5.5 h / 5 - 33 °C
3.1: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1: iodine; trichloroisocyanuric acid; sulfuric acid / 5 h / 0 - 70 °C
2: iodine; sulfur trioxide; chlorine; sulfuric acid / 5.5 h / 5 - 33 °C
3: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
salicylic acid
69-72-7

salicylic acid

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid / 1 h / 20 - 60 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid / 1 h / 20 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid; acetic acid / 0.5 h / 30 - 60 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; 5%-palladium/activated carbon; hydrogen; acetic acid / water; ethyl acetate / 4 h / 20 °C / 760.05 Torr
View Scheme
salicylic acid
69-72-7

salicylic acid

A

3-Chloro-2-hydroxybenzoic acid
1829-32-9

3-Chloro-2-hydroxybenzoic acid

B

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid / 1 h / 20 - 60 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid / 1 h / 20 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1.1: bromine; sulfuric acid; acetic acid / 0.5 h / 30 - 60 °C
2.1: iodine; sulfur trioxide; sulfuric acid / 5 - 20 °C
2.2: 5 - 30 °C
3.1: sodium acetate; palladium 10% on activated carbon; hydrogen; acetic acid / water / 16 h / 20 °C / 760.05 Torr
View Scheme
potassium 3,6-dichloro salicylate

potassium 3,6-dichloro salicylate

potassium carbonate
584-08-7

potassium carbonate

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 40℃; for 0.166667h; pH=1; Temperature; pH-value;
2,5-dichlorophenol
583-78-8

2,5-dichlorophenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium hydroxide / 5,5-dimethyl-1,3-cyclohexadiene; water / Inert atmosphere; Reflux
2: 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; potassium carbonate / 5,5-dimethyl-1,3-cyclohexadiene / 1.08 h / 50 - 140 °C / 22502.3 - 41254.1 Torr / Autoclave
3: hydrogenchloride / water / 0.17 h / 40 °C / pH 1
View Scheme
potassium salt of 2,5-dichlorophenol
68938-81-8

potassium salt of 2,5-dichlorophenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; potassium carbonate / 5,5-dimethyl-1,3-cyclohexadiene / 1.08 h / 50 - 140 °C / 22502.3 - 41254.1 Torr / Autoclave
2: hydrogenchloride / water / 0.17 h / 40 °C / pH 1
View Scheme
2-methylchlorobenzene
95-49-8

2-methylchlorobenzene

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: antimony(III) chloride; chlorine / 6 h / 25 °C
2: cobalt(II) diacetate tetrahydrate; sodium bromide; oxygen; acetic acid / 8 h / 135 °C / 5250.53 - 6750.68 Torr
3: methanol; sodium hydroxide / 5 h / 130 °C / 6000.6 Torr / Inert atmosphere
View Scheme
2,5 dichloroaniline
95-82-9

2,5 dichloroaniline

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium nitrite; sulfuric acid / water
2.1: potassium hydroxide / water; 5,5-dimethyl-1,3-cyclohexadiene
2.2: 3 h / 100 °C / 25858.1 Torr
View Scheme
1,2,4-Trichlorobenzene
120-82-1

1,2,4-Trichlorobenzene

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium hydroxide / methanol / 7 h / 180 °C / 24321.6 Torr
2.1: potassium hydroxide / water; 5,5-dimethyl-1,3-cyclohexadiene
2.2: 3 h / 100 °C / 25858.1 Torr
View Scheme
para-dichlorobenzene
106-46-7

para-dichlorobenzene

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: nitric acid; sulfuric acid
1.2: 3102.97 Torr
2.1: sodium nitrite; sulfuric acid / water
3.1: potassium hydroxide / water; 5,5-dimethyl-1,3-cyclohexadiene
3.2: 3 h / 100 °C / 25858.1 Torr
View Scheme
ortho-cresol
95-48-7

ortho-cresol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: bromine / N,N-dimethyl-formamide / 2.5 h / 10 °C / Inert atmosphere
2: chlorine; chlorosulfonic acid; iron(III) chloride / N,N-dimethyl-formamide / 20 °C
3: vanadium(V) oxide; nitric acid / 3 h / 120 °C
4: nickel; copper / water / 1 h / 90 °C / pH 11
View Scheme
4-Bromo-2-methylphenol
2362-12-1

4-Bromo-2-methylphenol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: chlorine; chlorosulfonic acid; iron(III) chloride / N,N-dimethyl-formamide / 20 °C
2: vanadium(V) oxide; nitric acid / 3 h / 120 °C
3: nickel; copper / water / 1 h / 90 °C / pH 11
View Scheme
methylene chloride
74-87-3

methylene chloride

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

methyl 2,5-dichloro-6-methoxybenzoate
6597-78-0

methyl 2,5-dichloro-6-methoxybenzoate

Conditions
ConditionsYield
Stage #1: 3,6-dichloro-2-hydroxybenzoic acid With sodium hydroxide Industrial scale;
Stage #2: methylene chloride With sodium carbonate In methanol at 95℃; under 3750.38 Torr; for 12h; Industrial scale;		96%
With methanol at 90 - 95℃; for 12h;
With sodium hydroxide In methanol; water at 90 - 95℃; for 12h; Large scale;
methanol
67-56-1

methanol

methylene chloride
74-87-3

methylene chloride

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

methyl 2,5-dichloro-6-methoxybenzoate
6597-78-0

methyl 2,5-dichloro-6-methoxybenzoate

Conditions
ConditionsYield
With tetrabutyl-ammonium chloride at 90 - 95℃; for 12h; Reagent/catalyst;72.8%
...Expand
3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

6-azaspiro[3.4]octane hydrochloride

6-azaspiro[3.4]octane hydrochloride

(6-azaspiro[3.4]oct-6-yl)(3,6-dichloro-2-hydroxyphenyl)methanone

(6-azaspiro[3.4]oct-6-yl)(3,6-dichloro-2-hydroxyphenyl)methanone

Conditions
ConditionsYield
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 tetrahydrofuran at 0 - 20℃; for 16h;18%
3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

3,6-dichloro-O-anisic acid
1918-00-9

3,6-dichloro-O-anisic acid

Conditions
ConditionsYield
With potassium hydroxide; dimethyl sulfate In water
methanol
67-56-1

methanol

3,6-dichloro-2-hydroxybenzoic acid
3401-80-7

3,6-dichloro-2-hydroxybenzoic acid

3,6-dichloro-O-anisic acid
1918-00-9

3,6-dichloro-O-anisic acid

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium hydroxide at 60℃; under 3000.3 Torr; for 3h; pH=8; Reagent/catalyst; pH-value; Pressure; Temperature;

3,6-Dichlorosalicylic acid Consensus Reports

Reported in EPA TSCA Inventory.

3,6-Dichlorosalicylic acid Specification

The 3,6-Dichloro-2-hydroxybenzoic acid, with the CAS registry number 3401-80-7 and EINECS registry number 222-275-8, is also called Dicamba metabolite. And the molecular formula of this chemical is C7H4Cl2O3. It belongs to the following product categoies: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids.

The physical properties of 3,6-Dichloro-2-hydroxybenzoic acid are as following: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.26; (8)ACD/KOC (pH 7.4): 1.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 44.85 cm3; (15)Molar Volume: 124.2 cm3; (16)Polarizability: 17.78×10-24cm3; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.665 g/cm3; (19)Flash Point: 139.3 °C; (20)Enthalpy of Vaporization: 57.78 kJ/mol; (21)Boiling Point: 306.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000331 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(C(=O)O)c1O
(2)InChI: InChI=1/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
(3)InChIKey: FKIKPQHMWFZFEB-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1800mg/kg (1800mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(9), Pg. 55, 1981.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. PB85-143766,
mouse LD50 oral 660mg/kg (660mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(10), Pg. 95, 1978.
rat LD50 oral 1560mg/kg (1560mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(10), Pg. 95, 1978.

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