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CAS No.: | 3964-58-7 |
---|---|
Name: | 3-CHLORO-4-HYDROXYBENZOIC ACID |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C7H5ClO3 |
Molecular Weight: | 172.568 |
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; |
EINECS: | 223-574-6 |
Density: | 1.536 g/cm3 |
Melting Point: | 171-173 °C |
Boiling Point: | 330.5 °C at 760 mmHg |
Flash Point: | 153.7 °C |
Appearance: | very slightly beige fluffy powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 57.53000 |
LogP: | 1.74380 |
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% |
2-chloro-4-trifluoromethylphenol
3-chloro-4-hydroxybenzoic acid
Conditions | Yield |
---|---|
With water; potassium hydroxide at 30 - 100℃; for 5h; Reagent/catalyst; | 71.5% |
Conditions | Yield |
---|---|
With ethanol at 125 - 136℃; im geschlossenen Rohr; |
Conditions | Yield |
---|---|
With sulfuric acid; water at 180℃; |
Conditions | Yield |
---|---|
With potassium hydroxide |
N,N-dichloro-p-toluenesulfonamide
4-hydroxy-benzoic acid
3-chloro-4-hydroxybenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid |
2,4-dinitrophenyl 4-hydroxy-3-chlorobenzoate
A
2,4-Dinitrophenol
B
3-chloro-4-hydroxybenzoic acid
Conditions | Yield |
---|---|
With water at 25℃; Rate constant; pH 7-13; |
4-hydroxy-benzoic acid
A
3-chloro-4-hydroxybenzoic acid
B
3,5-dichloro-4-hydroxybenzoic acid
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; |
3-chloro-4-acetoxybenzoic acid
3-chloro-4-hydroxybenzoic acid
Conditions | Yield |
---|---|
With potassium chloride; poly(ethyleneimine) In water at 25℃; Rate constant; Mechanism; Product distribution; various pH, aminolysis; |
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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