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4-Bromobenzoic acid

4-Bromobenzoic acid

CAS: 586-76-5

Molecular Formula: C7H5BrO2

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4-Bromobenzoic acid - Names and Identifiers

Name 4-Bromobenzoic acid
Synonyms 4-bromobenzoate
p-bromo-benzoicaci
4-bromo-benzoicaci
4-Brom-benzoic acid
4-Bromobenzoic aicd
P-Bromobenzoic acid
4-Bromobenzoic acid
Benzoicacid,4-bromo-
p-Carboxybromobenzene
Benzoic acid, p-bromo-
p-bromobenzenecarboxylicacid
CAS 586-76-5
EINECS 209-581-7
InChI InChI=1/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey TUXYZHVUPGXXQG-UHFFFAOYSA-N

4-Bromobenzoic acid - Physico-chemical Properties

Molecular FormulaC7H5BrO2
Molar Mass201.02
Density1,894 g/cm3
Melting Point252-254 °C (lit.)
Boling Point116 °C(Press: 15-16 Torr)
Flash Point135.1°C
Water SolubilitySOLUBLE IN HOT WATER
Solubility Soluble in ether, ethanol, acetone and hot water.
Vapor Presure0.000519mmHg at 25°C
AppearanceColorless to red crystals
ColorWhite to beige to pink-brownish
Merck14,1408
BRN1906923
pKa3.96(at 25℃)
Storage ConditionSealed in dry,Room Temperature
StabilityStable. Incompatible with strong oxidizing agents.
SensitiveEasily absorbing moisture
Refractive Index1.6080 (estimate)
MDLMFCD00002529
Physical and Chemical PropertiesMelting point 251~253 ℃
relative density 1.894
solubility: soluble in ether, ethanol, acetone and hot water.
UseFor Organic synthesis

4-Bromobenzoic acid - Risk and Safety

Risk CodesR22 - Harmful if swallowed
R36/37/38 - Irritating to eyes, respiratory system and skin.
R36 - Irritating to the eyes
R37/38 - Irritating to 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.
S22 - Do not breathe dust.
S37/39 - Wear suitable gloves and eye/face protection
WGK Germany3
RTECSDG4448050
TSCAYes
HS Code29163900
Hazard NoteIrritant

4-Bromobenzoic acid - Upstream Downstream Industry

Raw Materials4-Bromotoluene
Oxygen

4-Bromobenzoic acid - Introduction

Soluble in ethanol and ether, slightly soluble in hot water. It is irritating to eyes, respiratory system and skin.
Last Update:2022-10-16 17:26:40

4-Bromobenzoic acid - Reference Information

NIST chemical information information provided by: webbook.nist.gov (external link)
EPA chemical substance information information provided by: ofmpeb.epa.gov (external link)
Introduction 4-Bromobenzoic acid, also known as P-bromobenzoic acid, is a white or light pink crystal. 4-bromobenzoic acid is an important fine chemical and can be used as a perfume raw material, an intermediate of 4-bromobenzoate, a standard for measuring strontium, carbon, hydrogen and bromine by organic microanalysis.
Application 4-bromobenzoic acid is an important fine chemical used as an analytical reagent and an intermediate in organic synthesis, it is used in organic synthesis and is an intermediate of dyes and medicines.
preparation phase transfer catalytic synthesis of p-bromobenzoic acid: P-bromotoluene, Catalyst TEBA, turn on the reflux condensate and stirrer. Water bath heating, when the water bath temperature rises to a certain temperature, add potassium permanganate to the three-necked flask in batches, after adding, temperature control reaction time is about 2.5 h, after the reaction is finished, take advantage of hot Suction filtration, the precipitate formed in the reaction is removed. The filter cake was washed twice with boiling water, and the washing solution was combined with the filtrate. If the color of the liquid is purple, add ethanol, heat the potassium permanganate decomposition, filtration, washing. The combined filtrate was concentrated, cooled and acidified by adding 50% sulfuric acid, and a white precipitate appeared. After cooling, the filter cake was filtered, washed with cold distilled water, and put into an infrared constant temperature drying oven for drying, weighing. Melting Point: 251~256 ℃.
Use organic synthesis. Determination of strontium. Organic microanalysis for the determination of carbon, hydrogen and bromine standards.
intermediates in organic synthesis. Determination of strontium. Organic microanalysis for the determination of carbon, hydrogen and bromine standards.
used as analytical reagent, also used in organic synthesis
production method p-bromotoluene is obtained by oxidation and acidification. After P-bromotoluene, water and potassium hydroxide were mixed, the mixture was heated and boiled, potassium permanganate was added in portions, and then refluxed for 4H, and then filtered and acidified to obtain crude product. In dilute ethanol with ammonia dissolution, filtration, hydrochloric acid neutralization, washing to get the finished product.
category toxic substances
toxicity grade poisoning
Acute toxicity oral-mouse LD50: 1059 mg/kg; Intraperitoneal-mouse LD50: 536 mg/kg
flammability hazard characteristics toxic bromide fumes from thermal decomposition
storage and transportation characteristics warehouse ventilation, drying, low temperature
fire extinguishing agent water, sand, foam, carbon dioxide, dry powder
Last Update:2024-04-09 02:00:09
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View History
4-Bromobenzoic acid
274248-09-8
30379-55-6
1987897-04-0
104682-97-5
无水氯化亚钴
2-乙基己酸铋盐
2169976-34-3
calcium cyanamide, tech.
丙二醇苯醚
Raw Materials for 4-Bromobenzoic acid
4-Bromotoluene
Oxygen
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