4-Chloro-3,5-dihydroxybenzoic acid

Base Information

Chemical Name:4-Chloro-3,5-dihydroxybenzoic acid
CAS No.:102338-87-4
Molecular Formula:C7H5 Cl O4
Molecular Weight:188.567
Hs Code.:2918290000
DSSTox Substance ID:DTXSID20144915
Nikkaji Number:J85.011J
Wikidata:Q83009205
Mol file:102338-87-4.mol

Synonyms:4-Chloro-3,5-dihydroxybenzoic acid;102338-87-4;alpha-Resorcylic acid, 4-chloro-;p-Chloro-3,5-dihydroxybenzoic acid;MFCD00075791;starbld0017178;4-Chloro-alpha-resorcylic acid;SCHEMBL1458082;DTXSID20144915;SQVGSLMYJNTJQV-UHFFFAOYSA-N;AKOS006271846;SY320951;LS-143434;F86805

Suppliers and Price of 4-Chloro-3,5-dihydroxybenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Labseeker
4-chloro-3,5-dihydroxybenzoic acid 95
5g
$ 2000.00

Labseeker
4-chloro-3,5-dihydroxybenzoic acid 95
1g
$ 1500.00

Biosynth Carbosynth
4-Chloro-3,5-dihydroxybenzoic acid
5 g
$ 600.00

Total 3 raw suppliers

Chemical Property of 4-Chloro-3,5-dihydroxybenzoic acid

Chemical Property:

Vapor Pressure:1.17E-07mmHg at 25°C
Melting Point:250-251 °C
Boiling Point:415.7°Cat760mmHg
PKA:3.73±0.10(Predicted)
Flash Point:205.2°C
PSA：77.76000
Density:1.702g/cm³
LogP:1.44940
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:187.9876363
Heavy Atom Count:12
Complexity:172

Purity/Quality:

99%min ^*data from raw suppliers

4-chloro-3,5-dihydroxybenzoic acid 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1O)Cl)O)C(=O)O

Technology Process of 4-Chloro-3,5-dihydroxybenzoic acid

There total 5 articles about 4-Chloro-3,5-dihydroxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: 56518-51-5
ethyl 4-chloro-3,5-dimethoxybenzoate

: 102338-87-4
4-chloro-3,5-dihydroxybenzoic acid

Guidance literature:: ethyl 4-chloro-3,5-dimethoxybenzoate; With boron tribromide; In dichloromethane; at 0 ℃; for 4h;

With water; In dichloromethane; at 20 ℃; Cooling with ice bath;

Reference yield:

: 99-10-5
3,5-Dihydroxybenzoic acid

: 102338-87-4
4-chloro-3,5-dihydroxybenzoic acid

Guidance literature:: With N-chloro-succinimide; In methanol; for 17h;

Reference yield:

: 226419-21-2
4-chloro-3,5-dimethoxyaniline

: 102338-87-4
4-chloro-3,5-dihydroxybenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium nitrite; sulfuric acid / water / 0.5 h / 0 °C

1.2: 0.5 h / 20 - 80 °C / Reflux

2.1: n-butyllithium / tetrahydrofuran / 0.75 h / -70 °C

2.2: -70 - 20 °C

3.1: boron tribromide / dichloromethane / 4 h / 0 °C

3.2: 20 °C / Cooling with ice bath

With n-butyllithium; sulfuric acid; boron tribromide; sodium nitrite; In tetrahydrofuran; dichloromethane; water;