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4-Bromobenzoic acid

CAS No.
586-76-5
Chemical Name:
4-Bromobenzoic acid
Synonyms
P-BROMOBENZOIC ACID;Benzoic acid, p-bromo-;Benzoicacid,4-bromo-;'LGC' (4008);Homarine HCL;4-Brombenzoesure;AKOS BBS-00003716;p-bromo-benzoicaci;4-bromo-benzoicaci;4-BroMo bezoic acid
CBNumber:
CB1490484
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.02
MDL Number:
MFCD00002529
MOL File:
586-76-5.mol
Last updated:2024-12-18 14:07:02

4-Bromobenzoic acid Properties

Melting point 252-254 °C (lit.)
Boiling point 116 °C(Press: 15-16 Torr)
Density 1,894 g/cm3
refractive index 1.6080 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility ethanol: soluble5%
form Crystals or Powder
pka 3.96(at 25℃)
color White to beige to pink-brownish
Water Solubility SOLUBLE IN HOT WATER
Merck 14,1408
BRN 1906923
Stability Stable. Incompatible with strong oxidizing agents.
InChIKey TUXYZHVUPGXXQG-UHFFFAOYSA-N
CAS DataBase Reference 586-76-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 6992P6102O
NIST Chemistry Reference Benzoic acid, 4-bromo-(586-76-5)
EPA Substance Registry System 4-Bromobenzoic acid (586-76-5)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  Xn,Xi
Risk Statements  22-36/37/38-36-37/38
Safety Statements  26-36-24/25-22-37/39
WGK Germany  3
RTECS  DG4448050
Hazard Note  Irritant
TSCA  Yes
HS Code  29163900
NFPA 704
0
2 0

4-Bromobenzoic acid price More Price(42)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 108510 4-Bromobenzoic acid 98% 586-76-5 25g $52.9 2024-03-01 Buy
Sigma-Aldrich 108510 4-Bromobenzoic acid 98% 586-76-5 100g $119 2024-03-01 Buy
TCI Chemical B0553 4-Bromobenzoic Acid >98.0%(GC)(T) 586-76-5 25g $48 2024-03-01 Buy
TCI Chemical B0553 4-Bromobenzoic Acid >98.0%(GC)(T) 586-76-5 100g $140 2024-03-01 Buy
Alfa Aesar A12518 4-Bromobenzoic acid, 98+% 586-76-5 25g $52.2 2024-03-01 Buy
Product number Packaging Price Buy
108510 25g $52.9 Buy
108510 100g $119 Buy
B0553 25g $48 Buy
B0553 100g $140 Buy
A12518 25g $52.2 Buy

4-Bromobenzoic acid Chemical Properties,Uses,Production

Chemical Properties

White to light yellow crystal powder

Uses

4-Bromobenzoic acid was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.

Definition

ChEBI: A bromobenzoic acid carrying a single bromo subsituent at the 4-position.

Synthesis Reference(s)

Synthetic Communications, 17, p. 457, 1987 DOI: 10.1080/00397918708063924
Tetrahedron Letters, 18, p. 4631, 1977

General Description

Colorless to red crystals.

Reactivity Profile

Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 4-Bromobenzoic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Health Hazard

ACUTE/CHRONIC HAZARDS: Explodes above its melting point.

Purification Methods

Crystallise the acid from MeOH, or MeOH/water mixture, 90% EtOH and Et2O. The methyl ester has m 81o from Et2O or dilute MeOH. The anilide has m 197o (from EtOH). [Male & Thorp J Am Chem Soc 35 269 1913, Lamneck J Am Chem Soc 76 406 1954, Vandenbelt et al. Anal Chem 26 926 1954, Beilstein 9 IV 1017.]

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View Lastest Price from 4-Bromobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Bromobenzoic Acid pictures 2024-12-20 4-Bromobenzoic Acid
586-76-5
US $79.00-38.00 / kg 1kg 99% 20ton Hebei Zhuanglai Chemical Trading Co Ltd
4-Bromobenzoic acid pictures 2024-10-30 4-Bromobenzoic acid
586-76-5
US $0.00-0.00 / KG 1KG 99% 500000kg Hebei Weibang Biotechnology Co., Ltd
4-Bromobenzoic acid pictures 2024-10-25 4-Bromobenzoic acid
586-76-5
US $30.00-5.00 / kg 1kg 0.99 50 tons Hebei Yanxi Chemical Co., Ltd.
4-bromo-benzoicaci p-bromobenzenecarboxylicacid p-bromo-benzoicaci p-Carboxybromobenzene 4-Bromobenzoic aicd 4-Brom-benzoic acid PARA BROMO BENZOIC ACID 4-Bromobenzene carboxylic acid 4-BroMobenzoic acid, 98+% 4-BroMo bezoic acid The broMine benzoic acid 4-Bromobenzoic acid Vetec(TM) reagent grade, 98% p-Bromobenzoic Acid 4-Bromobenzoic Acid P-BROMOBENZOIC ACID CRYSTALLINE 4-BromobenzoicAcid99% 4-BROMO BENZOIC ACID FOR SYNTHESIS 'LGC' (4008) RARECHEM AL BO 0052 4-BROMOBENZOIC ACID AKOS BBS-00003716 4-Bromobenzoic acid,97% 4-BroMobenzoic acid, 97% 25GR 4-Bromobenzoic Acid > Benzoic acid, p-bromo- Benzoicacid,4-bromo- P-BROMOBENZOIC ACID 4-Bromobenzoic acid Manufacturer/High quality 4-Brombenzoesure Homarine HCL (2-Bromo-5-methoxy-49-methyl-phenyl)-methano (2-Bromo-5-methoxy-49-methyl-phenyl)-methano Pramexol Impurity 64 586-76-5 Exciton Chirality CD Method (for Hydroxyl Groups) Enantiomer Excess & Absolute Conefiguration Determination Building Blocks for Liquid Crystals Benzoic Acids (Building Blocks for Liquid Crystals) CARBOXYLIC ACID Absolute Conefiguration Determination (Exciton Chirality CD Method) Bifunctional Compounds (Building Blocks for Liquid Crystals) Organic Building Blocks C7 Carboxylic Acids Carbonyl Compounds Building Blocks carboxylic acid| alkyl bromide Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts Benzoic acid Organic acids Acids & Esters Bromine Compounds Absolute Configuration Determination (Exciton Chirality CD Method) Analytical Chemistry Benzoic Acids (Building Blocks for Liquid Crystals) Bifunctional Compounds (Building Blocks for Liquid Crystals) Building Blocks for Liquid Crystals Enantiomer Excess & Absolute Configuration Determination Exciton Chirality CD Method (for Hydroxyl Groups)