4-Bromo-1-naphthoic acid

Base Information

• Chemical Name: 4-Bromo-1-naphthoic acid
• CAS No.: 16650-55-8
• Molecular Formula: C11H7BrO2
• Molecular Weight: 251.079
• Hs Code.: 2916399090
• European Community (EC) Number: 640-764-8
• NSC Number: 136147
• DSSTox Substance ID: DTXSID00300350
• Nikkaji Number: J1.077.882D
• Wikidata: Q72448328
• Mol file: 16650-55-8.mol

Synonyms:4-Bromo-1-naphthoic acid;16650-55-8;4-Bromo-1-naphthalenecarboxylic acid;4-Bromo-1-Naphtalenecarboxylic Acid;4-bromonaphthalene-1-carboxylic acid;1-Naphthalenecarboxylic acid, 4-bromo-;MFCD00094221;4-Bromo-1-naphthoicAcid;NSC136147;4-bromo naphthoic acid;4-bromo-naphthalic acid;SCHEMBL148141;DTXSID00300350;FIJIPZQZVLCOMB-UHFFFAOYSA-N;4-Bromo-1-naphtalenecarboxylicacid;4-Bromo-1-naphthalenecarboxylicacid;BCP26312;1-Naphthalenecarboxylicacid,4-bromo-;4-bromo-naphthalene-1-carboxylic acid;AKOS015835597;4-Bromo-1-naphthoic acid, AldrichCPR;AC-3162;CS-W002367;NSC-136147;DS-11871;SY004132;A3690;AM20030114;B4949;FT-0637394;EN300-86262;J-514569

Chemical Property of 4-Bromo-1-naphthoic acid

Chemical Property:

• Vapor Pressure: 2.05E-07mmHg at 25°C
• Melting Point: 198-200
• Refractive Index: 1.697
• Boiling Point: 408.8°Cat760mmHg
• PKA: 3.48±0.10(Predicted)
• Flash Point: 201°C
• PSA: 37.30000
• Density: 1.648g/cm³
• LogP: 3.30050
• Storage Temp.: Keep Cold
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.96294
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-1-naphthoic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N,Xn
• Statements: 22-36-50/53
• Safety Statements: 26-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 4-Bromo-1-naphthoic acid

There total 22 articles about 4-Bromo-1-naphthoic 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: 94.0%

1-(4-bromonaphthalen-1-yl)ethanone (46258-62-2) → 4-bromonaphthalene-1-carboxylic acid (16650-55-8)

Guidance literature:

With sodium hypochlorite; In water; for 4.5h; Heating;

Reference yield: 94.0%

4-bromonaphthalene-1-carbonitrile (92616-49-4) → 4-bromonaphthalene-1-carboxylic acid (16650-55-8)

Guidance literature:

With sulfuric acid; In water; acetic acid; for 20h; Reflux;

DOI:10.1002/ejoc.201201752

Reference yield: 85.0%

4-bromo-1-naphthaldehyde (50672-84-9) → 4-bromonaphthalene-1-carboxylic acid (16650-55-8)

Guidance literature:

With potassium permanganate; In water; acetone; for 5h; Reflux;

DOI:10.1039/d0dt04363j

upstream raw materials:

1-bromo-4-methylnaphthalene

4-bromonaphthalene-1-carbonitrile

1-(4-bromonaphthalen-1-yl)ethanone

nitric acid

Downstream raw materials:

4-bromomethyl-1-naphthonitrile

1-bromo-4-bromomethyl-naphthalene

(4-bromo-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone

JWH-394

Refernces

• 1、 Cramer, Jacob R.,Ning, Yanxiao,Shen, Cai,Nuermaimaiti, Ajiguli,Besenbacher, Flemming,Linderoth, Trolle R.,Gothelf, Kurt V.. "Oligo(naphthylene-ethynylene) molecular rods". . p. 2813 - 2822. Retrieved 2013.
• 2、 Liu, Chengxin,Cui, Jin,Wang, Yufang,Zhang, Mingjie. "A new 2D Cu-MOF constructed from carboxylate ligands containing C-H?π interactions as a recyclable responsive luminescent sensor for VOCs". . p. 4124 - 4128. Retrieved 2021.
• 3、 ?ien-?Degaard, Sigurd,Bouchevreau, Boris,Hylland, Knut,Wu, Lianpao,Blom, Richard,Grande, Carlos,Olsbye, Unni,Tilset, Mats,Lillerud, Karl P.. "UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity". . p. 1986 - 1991. Retrieved 2016/03/19.