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610-96-8

Basic Information
CAS No.: 610-96-8
Name: Methyl 2-chlorobenzoate
Article Data: 145
Molecular Structure:
Molecular Structure of 610-96-8 (Methyl 2-chlorobenzoate)
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: IrritantXi
Risk Codes: R36/37/38   
Safety: 24/25
PSA: 26.30000
LogP: 2.12660
Synthetic route
67-56-1

methanol

118-91-2

ortho-chlorobenzoic acid

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
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%
75-91-2

tert.-butylhydroperoxide

89-98-5

2-chloro-benzaldehyde

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
Stage #1: tert.-butylhydroperoxide; 2-chloro-benzaldehyde In water; dimethyl sulfoxide
Stage #2: In water; dimethyl sulfoxide at 100℃; for 20h; Sealed tube;
99%
10345-79-6

N,N-Diethyl-2-chlorobenzamide

420-37-1

trimethoxonium tetrafluoroborate

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
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%
14920-87-7

2,6-dichlorobenzoic acid methyl ester

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
With methanol; sodium hydroxide In water Electrolysis;98%
67-56-1

methanol

13524-04-4

2'-chloro-sec-phenethyl alcohol

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
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.
67-56-1

methanol

89-98-5

2-chloro-benzaldehyde

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
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%
67-56-1

methanol

201230-82-2

carbon monoxide

615-41-8

2-iodochlorobenzene

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
With C57H43IP2Pd; triethylamine at 90℃; under 3750.38 Torr; for 12h; Autoclave;97%
67-56-1

methanol

609-65-4

o-chlorobenzoyl chloride

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
With triethylamine at 20℃; for 10h;95%
6526-67-6

N,N-dimethyl-o-chlorobenzamide

420-37-1

trimethoxonium tetrafluoroborate

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
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%
110-05-4

di-tert-butyl peroxide

118-91-2

ortho-chlorobenzoic acid

610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
With copper(l) chloride In chlorobenzene at 130℃; for 12h; Schlenk technique; Inert atmosphere;95%
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Chemistry


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

Safety Profile

Hazard Codes: IrritantXi
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

Specification

  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 .