ChemicalBook > CAS DataBase List > 4-Bromobenzoic acid

4-Bromobenzoic acid

Product Name
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;4-bromo-benzoicaci;p-bromo-benzoicaci;4-Brom-benzoic acid
CBNumber
CB1490484
Molecular Formula
C7H5BrO2
Formula Weight
201.02
MOL File
586-76-5.mol
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4-Bromobenzoic acid Property

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)
NIST Chemistry Reference
Benzoic acid, 4-bromo-(586-76-5)
EPA Substance Registry System
4-Bromobenzoic acid (586-76-5)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
108510
Product name
4-Bromobenzoic acid
Purity
98%
Packaging
25g
Price
$52.9
Updated
2024/03/01
Sigma-Aldrich
Product number
108510
Product name
4-Bromobenzoic acid
Purity
98%
Packaging
100g
Price
$119
Updated
2024/03/01
TCI Chemical
Product number
B0553
Product name
4-Bromobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$48
Updated
2024/03/01
TCI Chemical
Product number
B0553
Product name
4-Bromobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
100g
Price
$140
Updated
2024/03/01
Alfa Aesar
Product number
A12518
Product name
4-Bromobenzoic acid, 98+%
Packaging
25g
Price
$52.2
Updated
2024/03/01
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4-Bromobenzoic acid Chemical Properties,Usage,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.]

4-Bromobenzoic acid Preparation Products And Raw materials

Raw materials

Oxygen 4-Bromotoluene

Preparation Products

ETHYL 4-ACETYLBENZOATE 4-Carboxylphenylboronic acid pinacol ester 4-(3-TERT-BUTYL-1,2,4-OXADIAZOL-5-YL)PHENYLBORONIC ACID 3-TERT-BUTYL-5-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE Methyl 4-bromo-3-nitrobenzoate
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View Lastest Price from 4-Bromobenzoic acid manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
4-Bromobenzoic acid 586-76-5
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-30
Hebei Yanxi Chemical Co., Ltd.
Product
4-Bromobenzoic acid 586-76-5
Price
US $30.00-5.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
50 tons
Release date
2023-10-12
Hebei Chuanghai Biotechnology Co,.LTD
Product
4-Bromobenzoic acid 586-76-5
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-23

586-76-5, 4-Bromobenzoic acidRelated Search:

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  • 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)
  • Functional Materials