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CAS No.: | 33234-36-5 |
---|---|
Name: | 2-CHLORO-3-METHOXYBENZOIC ACID 97 |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H7ClO3 |
Molecular Weight: | 186.595 |
Synonyms: | m-Anisicacid, 2-chloro- (8CI);2-Chloro-3-(methyloxy)benzoic acid; |
Density: | 1.352 g/cm3 |
Melting Point: | 161-165 °C |
Boiling Point: | 315 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 46.53000 |
LogP: | 2.04680 |
carbon dioxide
2,3-dichloroanisole
A
1-chloro-3-methoxy-benzene
B
2-Chloroanisole
C
2-chloro-6-methoxybenzoic acid
D
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yields of byproduct given; | A n/a B n/a C n/a D 78% |
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yields of byproduct given; | A n/a B n/a C 78% D n/a |
3-Methoxybenzoic acid
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
Stage #1: 3-Methoxybenzoic acid With 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at 0℃; for 2h; Stage #2: With hexachloroethane In tetrahydrofuran at 0 - 65℃; for 2.5h; Stage #3: With hydrogenchloride at 20℃; | 47% |
With hexachloroethane; 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at 0 - 65℃; for 2.5h; | 47% |
2-chloro-1-methoxy-3-methylbenzene
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion |
2-chloro-3-methoxy benzaldehyde
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With potassium permanganate; water | |
With permanganate(VII) ion |
2-chloro-3-methoxy benzaldehyde
A
2-chloro-3-methoxybenzyl alcohol
B
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide at 60 - 70℃; |
2-amino-3-methoxybenzoic acid
A
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid
B
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium hydroxide; sodium hydroxide; hydroxylamine hydrochloride; copper(II) sulfate; sodium nitrite Yield given. Multistep reaction. Yields of byproduct given; |
2-amino-3-methoxybenzoic acid
A
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid
B
3-methoxydithiosalicylic acid
C
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium hydroxide; sodium disulfite; iron(III) chloride; copper(II) sulfate; sodium nitrite Multistep reaction. Title compound not separated from byproducts; |
2-Chloro-3-methoxybenzoic acid methyl ester
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
2-chloro-3-methoxy benzaldehyde
2-chloro-3-methoxybenzoic acid
1-methoxy-3-methyl-2-nitro-benzene
2-chloro-3-methoxybenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: permanganate; alkali View Scheme | |
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: permanganate; alkali View Scheme |
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The Benzoic acid,2-chloro-3-methoxy- is the organic compound with the formula C8H7ClO3. With the CAS registry number 33234-36-5, its systematic name is 2-chloro-3-methoxybenzoic acid.
Physical properties of Benzoic acid,2-chloro-3-methoxy-: (1)ACD/LogP: 2.11; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 44.75 cm3; (11)Molar Volume: 137.9 cm3; (12)Surface Tension: 47.4 dyne/cm; (13)Density: 1.352 g/cm3; (14)Flash Point: 144.3 °C; (15)Enthalpy of Vaporization: 58.72 kJ/mol; (16)Boiling Point: 315 °C at 760 mmHg; (17)Vapour Pressure: 0.00019 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(C(O)=O)c1Cl
(2)InChI: InChI=1/C8H7ClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: VIUDWLLKFANPLX-UHFFFAOYAU