3-Chloro-4-hydroxybenzoic acid supplier

Name
3-CHLORO-4-HYDROXYBENZOIC ACID
EINECS 223-574-6
CAS No. 3964-58-7
Article Data27
CAS DataBase
Density 1.536 g/cm³
Solubility
Melting Point 171-173 °C
Formula C₇H₅ClO₃
Boiling Point 330.5 °C at 760 mmHg
Molecular Weight 172.568
Flash Point 153.7 °C
Transport Information
Appearance very slightly beige fluffy powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Hydroxy-3-chlorobenzoic acid;NSC 21186;m-Chloro-p-hydroxybenzoic acid;3-Chloro-4-hydroxybenzoic acid;Benzoic acid, 3-chloro-4-hydroxy- (8CI)(9CI);3-Chloro-4-hydroxybenzoate;
PSA 57.53000
LogP 1.74380

Synthetic route

: 99-96-7
4-hydroxy-benzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With N-chloro-succinimide; titanium tetrachloride In ethyl acetate at 20℃; for 2h;	84%
With hydrogenchloride; dihydrogen peroxide In water at 45℃; for 4h;	69%
With hydrogenchloride; dihydrogen peroxide In water	67.44%

: 35852-58-5
2-chloro-4-trifluoromethylphenol

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With water; potassium hydroxide at 30 - 100℃; for 5h; Reagent/catalyst;	71.5%

: 56-23-5
tetrachloromethane

: 95-57-8
2-monochlorophenol

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With ethanol at 125 - 136℃; im geschlossenen Rohr;

: 2315-81-3
2-chloro-4-cyanophenol

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; water at 180℃;

: 3964-57-6
methyl 4-hydroxy-3-chlorobenzoate

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 473-34-7
N,N-dichloro-p-toluenesulfonamide

: 99-96-7
4-hydroxy-benzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid

: 95741-35-8
2,4-dinitrophenyl 4-hydroxy-3-chlorobenzoate

A: 51-28-5
2,4-Dinitrophenol

B: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With water at 25℃; Rate constant; pH 7-13;

: 99-96-7
4-hydroxy-benzoic acid

A: 3964-58-7
3-chloro-4-hydroxybenzoic acid

B: 3336-41-2
3,5-dichloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite at 20℃; for 1h; pH > 12; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With sodium hydroxide; sodium hypochlorite at 20℃; for 1h; pH > 12; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 70679-89-9
3-chloro-4-acetoxybenzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With potassium chloride; poly(ethyleneimine) In water at 25℃; Rate constant; Mechanism; Product distribution; various pH, aminolysis;

: 64-19-7
acetic acid

: 99-96-7
4-hydroxy-benzoic acid

chlorogas (1 mol ): chlorogas (1 mol )

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

...Expand

: 64-19-7
acetic acid

: 99-96-7
4-hydroxy-benzoic acid

KClO3 + hydrochloric acid (1/3 mol ): KClO3 + hydrochloric acid (1/3 mol )

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

...Expand

: 7782-50-5
chlorine

: 99-96-7
4-hydroxy-benzoic acid

natrium carbonate: natrium carbonate

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

...Expand

: 99-96-7
4-hydroxy-benzoic acid

SbCl5 (2 mol ): SbCl5 (2 mol )

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

: 7647-01-0
hydrogenchloride

: 7722-84-1
dihydrogen peroxide

: 99-96-7
4-hydroxy-benzoic acid

A: 3964-58-7
3-chloro-4-hydroxybenzoic acid

B: 3336-41-2
3,5-dichloro-4-hydroxybenzoic acid

...Expand

4-oxy-3-amino-benzoic acid: 4-oxy-3-amino-benzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
durch Austausch der Aminogruppe gegen Chlor nach Sandmeyer;

4-oxy-benzoate sodium: 4-oxy-benzoate sodium

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With chlorine; sodium carbonate

: 56-23-5
tetrachloromethane

: 64-17-5
ethanol

: 95-57-8
2-monochlorophenol

alkali: alkali

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
at 125 - 136℃; im geschlossenen Rohr;

...Expand

: 37908-96-6
3-chloro-4-methoxy benzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With diazomethane

: 14503-45-8
3-chloro-4-methoxybenzyl alcohol

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium aluminum hydride 2: diazomethane View Scheme

: 99-76-3
methyl 4-hydroxylbenzoate

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SO2Cl2 2: KOH-solution View Scheme

: 142247-73-2
4-acetoxy-3-chloro-benzonitrile

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: alcoholic KOH-solution 2: concentrated sulfuric acid; water / 180 °C View Scheme

: 108-88-3
toluene

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: chlorine; aluminum (III) chloride 2: potassium permanganate / Heating; Acidic conditions 3: chlorine; aluminum (III) chloride 4: sodium hydroxide View Scheme

: 106-43-4
para-chlorotoluene

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium permanganate / Heating; Acidic conditions 2: chlorine; aluminum (III) chloride 3: sodium hydroxide View Scheme

: 74-11-3
para-chlorobenzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorine; aluminum (III) chloride 2: sodium hydroxide View Scheme

: 51-44-5
3,4-dichlorbenzoic acid

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 2420-16-8
4-hydroxy-3-chlorobenzaldehyde

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With 1,4-dithio-D,L-threitol; recombinant aldehyde dehydrogenase from bovine lens; water‐forming NADH oxidase from Streptococcus mutans; NAD In aq. phosphate buffer at 40℃; for 24h; pH=8.5; Reagent/catalyst; Green chemistry; Enzymatic reaction; chemoselective reaction;

: S-2-acetamidoethyl 3-chloro-4-hydroxybenzothioate

: 3964-58-7
3-chloro-4-hydroxybenzoic acid

Conditions

Conditions	Yield
With water; non ribosomal peptide synthetase Enzymatic reaction;

3-Chloro-4-hydroxybenzoic acid Specification

The IUPAC name of 3-Chloro-4-hydroxy-MF4-Carboxy-2-chlorophenol is 3-chloro-4-hydroxybenzoic acid. With the CAS registry number 3964-58-7, it is also named as 4-Hydroxy-3-chlorobenzoic acid. The product's categories are Acids and Derivatives; Alcohols and Derivatives; API Intermediates; C7; Carbonyl Compounds; Carboxylic Acids. Besides, it is very slightly beige fluffy powder, which should be stored in sealed, dark, ventilated and dry place at room temperature. In addition, its molecular formula is C₇H₅ClO₃ and molecular weight is 172.57.

The other characteristics of this product can be summarized as: (1)EINECS: 223-574-6; (2)ACD/LogP: 2.39; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.95; (5)ACD/LogD (pH 7.4): -0.71; (6)ACD/BCF (pH 5.5): 1.4; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 17.29; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 39.95 cm³; (15)Molar Volume: 112.3 cm³; (16)Surface Tension: 66 dyne/cm; (17)Density: 1.536 g/cm³; (18)Flash Point: 153.7 °C; (19)Melting Point: 171-173 °C; (20)Enthalpy of Vaporization: 60.49 kJ/mol; (21)Boiling Point: 330.5 °C at 760 mmHg; (22)Vapour Pressure: 6.65E-05 mmHg at 25 °C; (23)Water Solubility: 1990 mg/L at 25 °C.

Uses of 3-Chloro-4-hydroxy-MF4-Carboxy-2-chlorophenol: it can react with Methanol to get 3-Chloro-4-hydroxy-benzoic acid methyl ester.

This reaction needs concd. H₂SO₄ by heating for 5 hours. The yield is 93 %.

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, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(C(=O)O)ccc1O
(2)InChI: InChI=1/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
(3)InChIKey: QGNLHMKIGMZKJX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
(5)Std. InChIKey: QGNLHMKIGMZKJX-UHFFFAOYSA-N

Product Name

3-CHLORO-4-HYDROXYBENZOIC ACID

Synthetic route

3-Chloro-4-hydroxybenzoic acid Specification

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