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4-Bromomandelic acid

4-Bromomandelic acid

CAS: 6940-50-7

Molecular Formula: C8H7BrO3

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4-Bromomandelic acid - Names and Identifiers

Name 4-Bromomandelic acid
Synonyms 4-Bromomandelic acid
4-BROMOMANDELIC ACID
p-Bromomandelic acid
P-Bromo mandelic acid
Mandelic acid, p-bromo-
4-BROMO-DL-MANDELIC ACID
p-Bromo-dl-mandelic acid
p-Bromophenylglycolicacid
p-Bromophenylhydroxyaceticacid
Benzeneaceticacid,4-bromo-hydroxy-
(4-bromophenyl)(hydroxy)acetic acid
(2R)-(4-bromophenyl)(hydroxy)ethanoate
(2S)-(4-bromophenyl)(hydroxy)ethanoate
4-Bromo-alpha-hydroxyphenylacetic acid
4-BROMO-ALPHA-HYDROXYPHENYLACETIC ACID
(2S)-(4-bromophenyl)(hydroxy)ethanoic acid
4-Bromomandelic acid, (4-Bromo-a-hydroxyphenyl-acetic acid
CAS 6940-50-7
EINECS 230-085-1
InChI InChI=1/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/p-1/t7-/m1/s1

4-Bromomandelic acid - Physico-chemical Properties

Molecular FormulaC8H7BrO3
Molar Mass231.05
Density1.6494 (rough estimate)
Melting Point116-118°C(lit.)
Boling Point397.5±27.0 °C(Predicted)
Flash Point194.2°C
Water SolubilitySlightly soluble in water.
Vapor Presure4.96E-07mmHg at 25°C
AppearanceCrystalline Powder or Flakes
ColorWhite to beige
Merck14,1424
BRN1567909
pKa3.14±0.10(Predicted)
Storage ConditionSealed in dry,Room Temperature
Refractive Index1.4730 (estimate)
MDLMFCD00004232
Physical and Chemical PropertiesCharacter White needle-like or plate-like crystals.

melting point 117~118 ℃

solubility: soluble in water, soluble in ethanol, ether and acetic acid, soluble in hot benzene and hot chloroform.

4-Bromomandelic acid - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk Codes36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
S24/25 - Avoid contact with skin and eyes.
WGK Germany3
TSCAT
HS Code29181980
Hazard ClassIRRITANT

4-Bromomandelic acid - Reference Information

introduction p-brommandelic acid is a white crystal. Soluble in water, soluble in ethanol, ether and acetic acid, soluble in hot benzene and hot chloroform.
Application p-brommandelic acid can be used as a sensitive reagent for the determination of zirconium, from titanium, iron, aluminum, separation of zirconium from copper and other metals.
first aid measures you should be careful when using p-brommandelic acid, which may decompose under combustion or high temperature to produce toxic smoke. Handle in a well-ventilated place. Wear appropriate protective gear. Prevent dust from spreading. Wash hands and face thoroughly after treatment. If dust or aerosol is generated, use local exhaust. Avoid contact with skin, eyes and clothing.
chemical properties white needle-like or flake-like crystals. Soluble in water, soluble in ethanol, ether and acetic acid, soluble in hot benzene and hot chloroform.
uses organic synthesis intermediates and analytical reagents.
production method is obtained by condensation, bromination, hydrolysis and acidification of bromobenzene. 1. Condensation bromobenzene, carbon disulfide and anhydrous aluminum trichloride are slightly heated together until carbon disulfide refluxes, slowly add acetic anhydride, and continue to refluxes for 2 hours after addition. Recover carbon disulfide, pour it into hydrochloric acid ice water, and filter out to obtain p-bromoacetophenone. 2. Bromination Dissolve p-bromoacetophenone in acetic acid, and slowly add the mixture of bromine and acetic acid at 25-45 ℃. Filter the reactants, wash the crystals with dilute ethanol, and filter dry to obtain tribromine. 3. Hydrolysis and acidification Heat 10% sodium hydroxide solution to 10 ℃, add tribromine, and stir for 3-4h below 20 ℃. Filter, add hydrochloric acid to the filtrate to pH = 1, cool to 10 ℃, filter and dry to obtain crude product. Then use benzene to recrystallize to obtain the finished product.
NIST chemical information The information is: webbook.nist.gov provides (external link)
EPA chemical information The information is: offered by ofmpub.epa.gov (external link)
Last Update:2024-04-09 20:52:54
4-Bromomandelic acid
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