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Cas Database |
| Name |
4-Chloro-3-methoxybenzoic acid |
EINECS | N/A |
| CAS No. | 85740-98-3 | Density | 1.352 g/cm3 |
| PSA | 46.53000 | LogP | 2.04680 |
| Solubility | N/A | Melting Point |
217.0 to 221.0 °C |
| Formula | C8H7ClO3 | Boiling Point | 325.4 °C at 760 mmHg |
| Molecular Weight | 186.595 | Flash Point | 150.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | T,N |
| Synonyms |
4-Chloro-3-methoxybenzoicacid; |
Article Data | 19 |
4-Chloro-3-methoxybenzoic acid Chemical Properties
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IUPAC Name: 4-Chloro-3-methoxybenzoic acid
Empirical Formula: C8H7ClO3
Molecular Weight: 186.5924
Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)Cl
InChI: InChI=1S/C8H7ClO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey: OXUUNDMDOOXPKY-UHFFFAOYSA-N
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.562
Molar Refractivity: 44.75 cm3
Molar Volume: 137.9 cm3
Surface Tension: 47.4 dyne/cm
Density: 1.352 g/cm3
Flash Point: 150.6 °C
Enthalpy of Vaporization: 59.9 kJ/mol
Boiling Point: 325.4 °C at 760 mmHg
Vapour Pressure: 9.44E-05 mmHg at 25 °C
Product Categories of 4-Chloro-3-methoxy-benzoate (CAS NO.85740-98-3): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds
4-Chloro-3-methoxybenzoic acid Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements of 4-Chloro-3-methoxy-benzoate (CAS NO.85740-98-3): 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
4-Chloro-3-methoxybenzoic acid Specification
4-Chloro-3-methoxy-benzoate (CAS NO.85740-98-3), its Synonyms are Benzoic acid, 4-chloro-3-methoxy- ; 4-Chloro-3-methoxy benzoic acid .
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