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CAS No.: | 610-96-8 |
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Name: | Methyl 2-chlorobenzoate |
Article Data: | 145 |
Molecular Structure: | |
Formula: | C8H7ClO2 |
Molecular Weight: | 170.595 |
Synonyms: | Benzoicacid, o-chloro-, methyl ester (6CI,7CI,8CI);2-Chlorobenzoic acid methyl ester;Methyl 2-chlorobenzoate;Methyl o-chlorobenzoate;NSC 7320; |
EINECS: | 210-242-0 |
Density: | 1.224 g/cm3 |
Melting Point: | 233-235 °C |
Boiling Point: | 225.4 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Solubility: | 567 mg/L at 25 °C in water |
Appearance: | White to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 2.12660 |
Conditions | Yield |
---|---|
With sulfuric acid for 4h; Reflux; | 100% |
With sulfuric acid Heating; | 99% |
With 1,3,5-trichloro-2,4,6-triazine; sodium carbonate at 50℃; for 0.333333h; Sonication; | 94% |
Conditions | Yield |
---|---|
Stage #1: tert.-butylhydroperoxide; 2-chloro-benzaldehyde In water; dimethyl sulfoxide Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube; | 99% |
N,N-Diethyl-2-chlorobenzamide
trimethoxonium tetrafluoroborate
methyl chlorobenzoate
Conditions | Yield |
---|---|
Stage #1: N,N-Diethyl-2-chlorobenzamide; trimethoxonium tetrafluoroborate With disodium hydrogenphosphate In acetonitrile at 20℃; Methylation; Stage #2: With sodium hydrogencarbonate for 18h; Hydrolysis; | 98% |
2,6-dichlorobenzoic acid methyl ester
methyl chlorobenzoate
Conditions | Yield |
---|---|
With methanol; sodium hydroxide In water Electrolysis; | 98% |
Conditions | Yield |
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With N-iodo-succinimide; 1,10-Phenanthroline; oxygen; potassium carbonate; copper dichloride In dimethyl sulfoxide at 140℃; under 3750.38 Torr; for 12h; Molecular sieve; | 98% |
With oxygen; potassium carbonate at 150℃; under 4500.45 Torr; for 24h; Autoclave; | 78 %Chromat. |
Conditions | Yield |
---|---|
With dihydrogen peroxide; bromine In dichloromethane; water for 4h; Reflux; | 97% |
With aluminium(III) chloride hexahydrate; urea hydrogen peroxide adduct at 60℃; Green chemistry; | 93% |
With bis(acetylacetonate)oxovanadium; dihydrogen peroxide at 20℃; for 5.3h; Reagent/catalyst; | 89% |
Conditions | Yield |
---|---|
With C57H43IP2Pd; triethylamine at 90℃; under 3750.38 Torr; for 12h; Autoclave; | 97% |
Conditions | Yield |
---|---|
With triethylamine at 20℃; for 10h; | 95% |
N,N-dimethyl-o-chlorobenzamide
trimethoxonium tetrafluoroborate
methyl chlorobenzoate
Conditions | Yield |
---|---|
Stage #1: N,N-dimethyl-o-chlorobenzamide; trimethoxonium tetrafluoroborate With disodium hydrogenphosphate In acetonitrile at 20℃; Methylation; Stage #2: With sodium hydrogencarbonate for 18h; Hydrolysis; | 95% |
Conditions | Yield |
---|---|
With copper(l) chloride In chlorobenzene at 130℃; for 12h; Schlenk technique; Inert atmosphere; | 95% |
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IUPAC Name: Methyl 2-chlorobenzoate
Canonical SMILES: COC(=O)C1=CC=CC=C1Cl
InChI: InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey: JAVRNIFMYIJXIE-UHFFFAOYSA-N
Molecular Weight: 170.59298 [g/mol]
Molecular Formula: C8H7ClO2
XLogP3: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Water Solubility: 567 mg/L at 25 °C
EINECS: 210-242-0
Appearance: White to light yellow crystal powder
Melting Point: 233-235 °C
Index of Refraction: 1.528
Molar Refractivity: 42.92 cm3
Molar Volume: 139.2 cm3
Surface Tension: 38.9 dyne/cm
Density: 1.224 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 46.19 kJ/mol
Boiling Point: 225.4 °C at 760 mmHg
Vapour Pressure: 0.0868 mmHg at 25 °C
Product Categories of Benzoicacid, 2-chloro-, methyl ester (CAS NO.610-96-8): Aromatic Esters; pharmacetical; Benzoic acid; Acids & Esters; Chlorine Compounds; C8 to C9; Carbonyl Compounds; Esters
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
Hazard Note of Benzoicacid, 2-chloro-, methyl ester (CAS NO.610-96-8): Irritant
Benzoicacid, 2-chloro-, methyl ester (CAS NO.610-96-8), its Synonyms are Methyl 2-chlorobenzoate ; Methyl o-chlorobenzoate ; Methyl-2-chlorobenzoate ; Benzoic acid, o-chloro-, methyl ester (8CI) ; Methyl 2-chlorobenzoate .