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| CAS No.: | 5106-98-9 | |
|---|---|---|
| Name: | 4-Chlorosalicylic acid | |
| Article Data: | 29 | |
| Molecular Structure: | ||
|
|
||
| Formula: | C7H5ClO3 | |
| Molecular Weight: | 172.568 | |
| Synonyms: | 4-Chloro-2-hydroxybenzoic acid;2-Hydroxy-4-chlorobenzoic acid;Salicylic acid, 4-chloro- (8CI);4-chloro-2-hydroxy-benzoate;Benzoic acid, 4-chloro-2-hydroxy-;Salicylic acid, 4-chloro-;4-chloro salicylic acid;4-Choro-2-hydroxy benzoic acid; | |
| EINECS: | 225-829-7 | |
| Density: | 1.536 g/cm3 | |
| Melting Point: | 210-212 °C(lit.) | |
| Boiling Point: | 321.1 °C at 760 mmHg | |
| Flash Point: | 148 °C | |
| Solubility: | slightly soluble in water | |
| Appearance: | off-white to light beige powder | |
| Hazard Symbols: |
 Xi, Xn
|
|
| Risk Codes: | 36/37/38-22 | |
| Safety: | 26-37/39-36 | |
| PSA: | 57.53000 | |
| LogP: | 1.74380 | |
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| Conditions | Yield |
|---|---|
| With pyridine; water; potassium carbonate; copper for 0.25h; sonication; | 95% |
| With pyridine; copper; potassium carbonate In water for 2h; Heating; | 88% |
| With copper(l) iodide; copper; potassium carbonate at 180℃; under 7355.08 Torr; | |
| With barium dihydroxide; water; copper at 160 - 170℃; | |
| Stage #1: 2,4 dichlorobenzoic acid With sodium carbonate In water at 50 - 75℃; Stage #2: trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(II) sulfate at 100℃; for 4h; Stage #3: With hydrogenchloride In water at 20℃; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With oxygen; potassium acetate; palladium diacetate; p-benzoquinone In N,N-dimethyl acetamide at 115℃; under 760.051 Torr; for 15h; | 78% |
| With sulfuric acid; acetic acid at 60 - 70℃; bei der elektrolytischen Oxydation; |
| Conditions | Yield |
|---|---|
| With carbon dioxide at 165℃; under 7600.51 Torr; for 6h; Temperature; Pressure; Autoclave; regioselective reaction; | 76.2% |
- 135251-11-5
(E)-1-(4-chloro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
- 5106-98-9
4-chlorosalicylic acid
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride for 0.166667h; Ambient temperature; | 52% |
- 5106-98-9
4-chlorosalicylic acid
- 50-84-0
2,4 dichlorobenzoic acid
- 124-41-4
sodium methylate
A
- 5106-98-9
4-chlorosalicylic acid
B
- 56363-84-9
2-chloro-4-hydroxybenzoic acid
| Conditions | Yield |
|---|---|
| at 183℃; |
- 50-84-0
2,4 dichlorobenzoic acid
A
- 5106-98-9
4-chlorosalicylic acid
B
- 56363-84-9
2-chloro-4-hydroxybenzoic acid
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate at 183℃; |
| Conditions | Yield |
|---|---|
| With cis-nitrous acid |
- 57479-70-6
2-methoxy-4-chlorobenzoic acid
- 5106-98-9
4-chlorosalicylic acid
| Conditions | Yield |
|---|---|
| With hydrogen iodide |
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Chemistry
The molecular structure of 4-Chlorosalicylic acid (CAS NO.5106-98-9):
IUPAC Name: 4-Chloro-2-hydroxybenzoic acid
Molecular Weight: 172.5658 g/mol
Molecular Formula: C7H5ClO3
Density: 1.536 g/cm3
Melting Point: 210-212 °C(lit.)
Boiling Point: 321.1 °C at 760 mmHg
Flash Point: 148 °C
Index of Refraction: 1.629
Molar Refractivity: 39.95 cm3
Molar Volume: 112.3 cm3
Surface Tension: 66 dyne/cm
Enthalpy of Vaporization: 59.42 kJ/mol
Vapour Pressure: 0.000126 mmHg at 25 °C
Water Solubility: slightly soluble
XLogP3: 3.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 4
Exact Mass: 171.992722
MonoIsotopic Mass: 171.992722
Topological Polar Surface Area: 57.5
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=C(C=C1Cl)O)C(=O)O
InChI: InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey: LWXFCZXRFBUOOR-UHFFFAOYSA-N
EINECS: 225-829-7
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Phenols; Acids & Esters; Chlorine Compounds; C7; Carbonyl Compounds; Carboxylic Acids
Uses
4-Chlorosalicylic acid (CAS NO.5106-98-9) is used as intermediates of organic synthesis, dyes and pharmaceutical.
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT
Specification
4-Chlorosalicylic acid (CAS NO.5106-98-9) is also named as 2-Hydroxy-4-chlorobenzoic acid ; 4-Chloro-2-hydroxybenzoic acid ; AI3-34238 ; NSC 15816 ; Benzoic acid, 4-chloro-2-hydroxy- ; Salicylic acid, 4-chloro- (8CI) . 4-Chlorosalicylic acid (CAS NO.5106-98-9) is off-white to light beige powder.