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Cas Database |
| Name |
2-Chloro-3-methoxybenzoic acid |
EINECS | N/A |
| CAS No. | 33234-36-5 | Density | 1.352 g/cm3 |
| PSA | 46.53000 | LogP | 2.04680 |
| Solubility | N/A | Melting Point |
161-165 °C |
| Formula | C8H7ClO3 | Boiling Point | 315 °C at 760 mmHg |
| Molecular Weight | 186.595 | Flash Point | 144.3 °C |
| Transport Information | UN 2811 6.1/PG 3 | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
m-Anisicacid, 2-chloro- (8CI);2-Chloro-3-(methyloxy)benzoic acid; |
Article Data | 10 |
2-Chloro-3-methoxybenzoic acid Synthetic route
- 124-38-9
carbon dioxide
- 1984-59-4
2,3-dichloroanisole
A
- 2845-89-8
1-chloro-3-methoxy-benzene
B
- 766-51-8
2-Chloroanisole
C
- 3260-89-7
2-chloro-6-methoxybenzoic acid
D
- 33234-36-5
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 |
- 586-38-9
3-Methoxybenzoic acid
- 33234-36-5
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% |
- 90807-19-5
2-chloro-1-methoxy-3-methylbenzene
- 33234-36-5
2-chloro-3-methoxybenzoic acid
| Conditions | Yield |
|---|---|
| With permanganate(VII) ion |
- 54881-49-1
2-chloro-3-methoxy benzaldehyde
- 33234-36-5
2-chloro-3-methoxybenzoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; water | |
| With permanganate(VII) ion |
- 54881-49-1
2-chloro-3-methoxy benzaldehyde
A
- 52516-43-5
2-chloro-3-methoxybenzyl alcohol
B
- 33234-36-5
2-chloro-3-methoxybenzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 60 - 70℃; |
- 3177-80-8
2-amino-3-methoxybenzoic acid
A
- 77982-83-3, 85314-52-9, 103420-84-4
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid
B
- 33234-36-5
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; |
- 3177-80-8
2-amino-3-methoxybenzoic acid
A
- 77982-83-3, 85314-52-9, 103420-84-4
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid
B
- 20557-42-0
3-methoxydithiosalicylic acid
C
- 33234-36-5
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; |
- 59425-26-2
2-Chloro-3-methoxybenzoic acid methyl ester
- 33234-36-5
2-chloro-3-methoxybenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 54881-49-1
2-chloro-3-methoxy benzaldehyde
- 33234-36-5
2-chloro-3-methoxybenzoic acid
- 5345-42-6
1-methoxy-3-methyl-2-nitro-benzene
- 33234-36-5
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 |
2-Chloro-3-methoxybenzoic acid Specification
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
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