3-Bromobenzoic acid

3-Bromobenzoic acid Basic information

Product Name:	3-Bromobenzoic acid
Synonyms:	3-BromobenzoicAcid99%;3-BROMO BENZOIC ACID FOR SYNTHESIS;3-Bromobenzoicacid,98+%;Brombenzoesaure;3-BroMobenzoic aicd;3-BroMobenzoic acid, 99% 25GR;3-BroMobenzoic acid, 99% 5GR;Benzoic acid, M-broMo- (8CI)
CAS:	585-76-2
MF:	C7H5BrO2
MW:	201.02
EINECS:	209-562-3
Product Categories:	Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;alkyl bromide\| carboxylic acid;Carboxylic Acids;blocks;Carboxes;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;BenzoicAcidDerivative;Benzoic acid;Acids & Esters;Bromine Compounds;C7;Carbonyl Compounds;bc0001
Mol File:	585-76-2.mol

3-Bromobenzoic acid Chemical Properties

Melting point	155-158 °C(lit.)
Boiling point	>280 °C
density	1,948 g/cm³
refractive index	1.6080 (estimate)
storage temp.	Sealed in dry,Room Temperature
solubility	methanol: soluble50mg/mL, clear, colorless
pka	3.86(at 25℃)
form	Powder
color	White to light beige
Water Solubility	0.54 g/L (32 ºC)
BRN	2041792
InChIKey	VOIZNVUXCQLQHS-UHFFFAOYSA-N
CAS DataBase Reference	585-76-2(CAS DataBase Reference)
NIST Chemistry Reference	Benzoic acid, 3-bromo-(585-76-2)
EPA Substance Registry System	m-Bromobenzoic acid (585-76-2)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38-37/38-36
Safety Statements	26-36-37/39
WGK Germany	3
Hazard Note	Irritant
TSCA	Yes
HS Code	29163990

MSDS Information

Provider	Language
3-Bromobenzoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

3-Bromobenzoic acid Usage And Synthesis

Chemical Properties	white to light yellow crystal powder. soluble in alcohols and ethers, insoluble in water.Used as organic synthesis reagent.
Uses	3-Bromobenzoic acid was used as test solute in the determination of acidity constants by capillary zone electrophoresis. It was used as internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction. It was also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide.
Preparation	3-Bromobenzoic acid is synthesized from 3-bromotoluene by oxidation of potassium permanganate. Mix m-bromotoluene, potassium hydroxide and water, heat to boiling, slowly add potassium permanganate, and reflux for 4 hours after adding. After acidification by filtration, the crude product was obtained by filtration. Then it is dissolved in ethanol with ammonia water, acidified with hydrochloric acid, filtered and washed with water to obtain 3-bromobenzoic acid.
Definition	ChEBI: 3-bromobenzoic acid is a bromobenzoic acid carrying a single bromo subsituent at the 3-position.
Synthesis Reference(s)	The Journal of Organic Chemistry, 15, p. 481, 1950 DOI: 10.1021/jo01149a007
Purification Methods	Crystallise the acid from acetone/water, MeOH or acetic acid. The anilide has m 137o (from EtOH/H2O). [Beilstein 9 IV 1013.]

3-Bromobenzoic acid Preparation Products And Raw materials

Raw materials

Potassium permanganate-->3-Bromotoluene

Preparation Products

3-PYRIDIN-4-YL-BENZOIC ACID-->3-BROMO-2-((CYCLOPROPYLAMINO)METHYL)BENZALDEHYDE-->6-BROMOISOBENZOFURAN-1(3H)-ONE-->5-Bromo-2-iodobenzoic acid-->ETHYL 3-BROMOBENZOATE-->3-Bromobenzaldehyde-->3-BROMO-4'-CHLOROBENZOPHENONE-->3-(4-FLUOROPHENYL)BENZOIC ACID-->3-(1H-IMIDAZOL-1-YL)BENZOIC ACID-->3-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)BENZOIC ACID-->3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->5-BROMOISOQUINOLIN-1(2H)-ONE-->5-BROMO-1H-INDAZOLE-3-CARBALDEHYDE-->3-Bromobenzoyl chloride-->3-Bromobenzyl alcohol-->3-Bromobenzophenone

(-)-o-Bromobenzoic acid (R)-2-methylbutyl ester (+)-p-Bromobenzoic acid (S)-α-(triphenylsilyl)benzyl ester p-Bromobenzoic acid isobutyl ester (+)-p-Bromobenzoic acid (S)-2-methylbutyl ester Ethyl 2-(Chlorosulfonyl)acetate Ascoric Acid 4-Bromo-2-hydroxybenzoic acid (+)-o-Bromobenzoic acid (S)-1-methylheptyl ester 3-Hydroxybenzoic acid 2-Acetylamino-3-bromobenzoic acid methyl ester (+)-o-Bromobenzoic acid (S)-2-methylbutyl ester 3-Acetylamino-4-bromobenzoic acid methyl ester 3-Acetylamino-2-bromobenzoic acid methyl ester 3-Bromobenzoic acid succinimidyl ester 3-Carboxybenzyl Bromide Estradiol benzoate 4-Bromobenzoic acid 2-[(1R,3aα,5aβ,6β,9aβ)-dodecahydro-6-[(Z)-2-penten-4-ynyl]pyrrolo[1,2-a]quinolin-1β-yl]ethyl ester (-)-p-Bromobenzoic acid (R)-α-(triphenylsilyl)benzyl ester

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