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4-Bromobenzoic acid

4-Bromobenzoic acid Structure
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
MOL File:
586-76-5.mol
Modify Date:
2023/10/20 16:32:09

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)
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) 
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(7)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 108510 4-Bromobenzoic acid 98% 586-76-5 25G ₹3063.48 2022-06-14 Buy
Sigma-Aldrich(India) 108510 4-Bromobenzoic acid 98% 586-76-5 100G ₹7794 2022-06-14 Buy
TCI Chemicals (India) B0553 4-Bromobenzoic Acid min. 98.0 % 586-76-5 25G ₹1800 2022-05-26 Buy
TCI Chemicals (India) B0553 4-Bromobenzoic Acid min. 98.0 % 586-76-5 100G ₹6600 2022-05-26 Buy
ottokemi B 2088 4-Bromobenzoic acid 98% 586-76-5 10gm ₹270 2022-05-26 Buy
Product number Packaging Price Buy
108510 25G ₹3063.48 Buy
108510 100G ₹7794 Buy
B0553 25G ₹1800 Buy
B0553 100G ₹6600 Buy
B 2088 10gm ₹270 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.

General Description

Colorless to red crystals.

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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