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Basic information

  • Name:
  • 4-Chlorosalicylic acid

  • CAS No.:
  • 5106-98-9

  • Molecular Structure:
  • Formula:
  • C7H5ClO3
  • Molecular Weight:
  • 172.57
  • 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:
  • IrritantXi,HarmfulXn
  • Risk Codes:
  • 36/37/38-22
  • Safety Description:
  • 26-37/39-36 Details

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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: IrritantXi, HarmfulXn
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.

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