Cas no 82477-67-6 (3-Chloro-5-methoxybenzoic acid)

3-Chloro-5-methoxybenzoic acid structure

82477-67-6 structure

Product Name:3-Chloro-5-methoxybenzoic acid

CAS No:82477-67-6

MF:C₈H₇ClO₃

MW:186.592381715775

MDL:MFCD01317994

CID:720332

PubChem ID:12909341

Update Time:2024-10-27

3-Chloro-5-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

- 3-Chloro-5-methoxybenzoic acid
- 3-Chloro-5-methoxy-benzoic acid
- Benzoicacid, 3-chloro-5-methoxy-
- 82477-67-6
- AKOS005257242
- 3-chloro-5-methoxybenzoicacid
- MFCD01317994
- RRVHCVOVXPMKGF-UHFFFAOYSA-N
- SCHEMBL1188720
- AM807313
- J-512278
- CS-WAA0107
- DTXSID00512714
- 3-Chloro-5-methoxybenzoic acid, 97%
- FT-0600199
- CL8083
- Benzoic acid, 3-chloro-5-methoxy-
- AB08610
- Z1255488484
- CS-W016883
- EN300-206452
- FS-2600
- 3-Chloro-5-methoxybenzoic acid (ACI)
- DB-006404
- SY029829
- MDL： MFCD01317994
- Inchi： 1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
- InChI Key： RRVHCVOVXPMKGF-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(OC)C=C(Cl)C=1)O

Computed Properties

Exact Mass: 186.00800
Monoisotopic Mass: 186.0083718g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 172
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.8
Topological Polar Surface Area: 46.5?2

Experimental Properties

Density: 1.353
Melting Point: 172-176?°C
Boiling Point: 323.134°Cub>15NO5
Flash Point: 149.227°C
Refractive Index: 1.562
PSA: 46.53000
LogP: 2.04680

3-Chloro-5-methoxybenzoic acid Security Information

Symbol:
Signal Word：Danger
Hazard Statement： H301,H315,H319,H335
Warning Statement： P261,P301+P310,P305+P351+P338
Hazardous Material transportation number：UN 2811 6.1/PG 3
WGK Germany：3
Hazard Category Code： 22-36/37/38
Safety Instruction： S26; S36/37
Hazardous Material Identification：
Risk Phrases：R22
HazardClass：6.1
PackingGroup：Ⅲ
Storage Condition：2-8°C

3-Chloro-5-methoxybenzoic acid Customs Data

HS CODE：2918990090
Customs Data：

China Customs Code:
2918990090

Overview:

2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-Chloro-5-methoxybenzoic acid Pricemore >>

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3-Chloro-5-methoxybenzoic acid Production Method

Production Method 1

51-36-5

82477-67-6

Reaction Conditions

1.1 Solvents: Hexamethylphosphoramide ; 2 d, 120 °C

Reference

Discovery and optimization of CRTH2 and DP dual antagonists

Liu, Jiwen; et al, Bioorganic & Medicinal Chemistry Letters, 2009, 19(22), 6419-6423

Production Method 2

2845-89-8

82477-67-6

Reaction Conditions

1.1 Reagents: Bis(pinacolato)diborane Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium , 4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine Solvents: Dimethoxymethane ; 24 h, 80 °C
1.2 Reagents: Cesium fluoride Catalysts: [1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]iodocop… Solvents: Dimethoxymethane ; 24 h, 120 °C

Reference

Formal C-H Carboxylation of Unactivated Arenes

Gevorgyan, Ashot ; et al, Chemistry - A European Journal, 2020, 26(27), 6064-6069

Production Method 3

51-36-5

82477-67-6

Reaction Conditions

1.1 Reagents: Sodium methoxide Solvents: Hexamethylphosphoramide

Reference

Syntheses of phenolic metabolites of an antifungal imidazole derivative (cloconazole hydrochloride)

Takahashi, Kimio; et al, Heterocycles, 1985, 23(6), 1483-91

Production Method 4

82477-63-2

82477-67-6

Reaction Conditions

1.1 Reagents: Sodium nitrite , Hydrochloric acid
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)

Reference

Reaction of some 1,4-benzoquinone monooximes with methanolic hydrogen chloride

Sargent, Melvyn V., Journal of the Chemical Society, 1982, (4), 1095-8

Production Method 5

865-34-9

99-34-3

82477-67-6

Reaction Conditions

1.1 Solvents: Hexamethylphosphoramide ; 18 h, rt; 6 h, 80 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, cooled
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate
3.1 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 5 °C; 30 min, 0 °C
3.2 Reagents: Hydrochloric acid , Cuprous chloride Solvents: Water ; < 10 °C; 1 h, rt; 30 min, 80 °C

Reference

The role of substitution in the apex position of the bent-core on mesomorphic properties of new series of liquid crystalline materials

Skopalova, Helena; et al, Crystals, 2020, 10(9),

Production Method 6

51-36-5

82477-67-6

Reaction Conditions

1.1 Solvents: Methanol , Hexamethylphosphoramide ; 15 h, 120 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified

Reference

Discovery of highly potent V600E-B-RAF kinase inhibitors: Molecular modeling study

Tarazi, Hamadeh; et al, Bioorganic & Medicinal Chemistry, 2019, 27(4), 655-663

Production Method 7

74165-74-5

82477-67-6

Reaction Conditions

1.1 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 5 °C; 30 min, 0 °C
1.2 Reagents: Hydrochloric acid , Cuprous chloride Solvents: Water ; < 10 °C; 1 h, rt; 30 min, 80 °C

Reference

The role of substitution in the apex position of the bent-core on mesomorphic properties of new series of liquid crystalline materials

Skopalova, Helena; et al, Crystals, 2020, 10(9),

Production Method 8

82477-65-4

82477-67-6

Reaction Conditions

1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)

Reference

Reaction of some 1,4-benzoquinone monooximes with methanolic hydrogen chloride

Sargent, Melvyn V., Journal of the Chemical Society, 1982, (4), 1095-8

Production Method 9

82477-66-5

82477-67-6

Reaction Conditions

1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)

Reference

Reaction of some 1,4-benzoquinone monooximes with methanolic hydrogen chloride

Sargent, Melvyn V., Journal of the Chemical Society, 1982, (4), 1095-8

Production Method 10

78238-12-7

82477-67-6

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate
2.1 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 5 °C; 30 min, 0 °C
2.2 Reagents: Hydrochloric acid , Cuprous chloride Solvents: Water ; < 10 °C; 1 h, rt; 30 min, 80 °C

Reference

The role of substitution in the apex position of the bent-core on mesomorphic properties of new series of liquid crystalline materials

Skopalova, Helena; et al, Crystals, 2020, 10(9),

Production Method 11

82477-62-1

82477-67-6

Reaction Conditions

1.1 Reagents: Sodium nitrite , Hydrochloric acid
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)

Reference

Reaction of some 1,4-benzoquinone monooximes with methanolic hydrogen chloride

Sargent, Melvyn V., Journal of the Chemical Society, 1982, (4), 1095-8

3-Chloro-5-methoxybenzoic acid Raw materials

3-Chloro-5-methoxybenzoic acid Preparation Products

3-Chloro-5-methoxybenzoic acid (82477-67-6)

3-Chloro-5-methoxybenzoic acid Related Literature

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Cas no 82477-67-6 (3-Chloro-5-methoxybenzoic acid)

3-Chloro-5-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

3-Chloro-5-methoxybenzoic acid Security Information

3-Chloro-5-methoxybenzoic acid Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

3-Chloro-5-methoxybenzoic acid Pricemore >>

3-Chloro-5-methoxybenzoic acid Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

Production Method 8

Production Method 9

Production Method 10

Production Method 11

3-Chloro-5-methoxybenzoic acid Raw materials

3-Chloro-5-methoxybenzoic acid Preparation Products

3-Chloro-5-methoxybenzoic acid Related Literature

Related Categories

82477-67-6 (3-Chloro-5-methoxybenzoic acid) Related Products