ChemicalBook > CAS DataBase List > 3-(4-BROMOBENZOYL)PROPIONIC ACID

3-(4-BROMOBENZOYL)PROPIONIC ACID

Product Name
3-(4-BROMOBENZOYL)PROPIONIC ACID
CAS No.
6340-79-0
Chemical Name
3-(4-BROMOBENZOYL)PROPIONIC ACID
Synonyms
NSC 51068;TIMTEC-BB SBB000956;3-(4-Bromobenzoyl)propionicAci;β-(4-Bromophenyl)propionic acid;3-(4-BROMOBENZOYL)PROPIONIC ACID;3-(4-Bromobenzoyl)propanoic acid;3-(P-BROMOBENZOYL)PROPIONIC ACID;γ-Oxo-4-bromobenzenebutyric acid;4-Bromo-γ-oxobenzenebutanoic acid;4-Bromo-γ-oxobenzenebutanoic acid
CBNumber
CB1126963
Molecular Formula
C10H9BrO3
Formula Weight
257.08
MOL File
6340-79-0.mol
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3-(4-BROMOBENZOYL)PROPIONIC ACID Property

Melting point:
148-152 °C (lit.)
Boiling point:
147-150 °C
Density 
1.5943 (rough estimate)
refractive index 
1.4620 (estimate)
storage temp. 
Sealed in dry,Room Temperature
form 
Shiny Crystalline Flakes or Powder
pka
4.44±0.17(Predicted)
color 
White to light beige
BRN 
2104410
InChI
InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey
ZODFRCZNTXLDDW-UHFFFAOYSA-N
SMILES
C1(C=CC(Br)=CC=1)C(=O)CCC(=O)O
CAS DataBase Reference
6340-79-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HS Code 
29183000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
546291
Product name
3-(4-Bromobenzoyl)propionic acid
Purity
96%
Packaging
25g
Price
$181
Updated
2025/07/31
TCI Chemical
Product number
B3129
Product name
3-(4-Bromobenzoyl)propionic Acid
Purity
>98.0%(HPLC)(T)
Packaging
5g
Price
$57
Updated
2025/07/31
TCI Chemical
Product number
B3129
Product name
3-(4-Bromobenzoyl)propionic Acid
Purity
>98.0%(HPLC)(T)
Packaging
25g
Price
$195
Updated
2023/06/20
TRC
Product number
B680703
Product name
3-(4-Bromobenzoyl)propionic acid
Packaging
1g
Price
$75
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB53808
Product name
3-(4-Bromobenzoyl)propionic acid
Packaging
10g
Price
$60
Updated
2021/12/16
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3-(4-BROMOBENZOYL)PROPIONIC ACID Chemical Properties,Usage,Production

Chemical Properties

white to light beige shiny crystalline flakes

Synthesis

108-30-5

108-86-1

6340-79-0

The general procedure for the synthesis of 3-(4-bromobenzoyl)propionic acid from butanedioic anhydride and bromobenzene was as follows: butanedioic anhydride (5.0 g, 50 mmol) and bromobenzene (48 g, 300 mmol) were cooled to 0 °C. Anhydrous aluminum chloride (13.3 g, 100 mmol) was added to the reaction mixture under nitrogen protection and stirred at 0 °C for 4 hours. Subsequently, the reaction mixture was slowly warmed to room temperature and stirring was continued for 96 hours under nitrogen protection. Upon completion of the reaction, the mixture was cooled again to 0 °C, concentrated hydrochloric acid (125 mL) was slowly added and stirred under nitrogen protection for 1 hour. The reaction mixture was filtered and washed with water (1 L) to give a light yellow solid. The solid was purified by recrystallization from toluene to give 4-(4-bromophenyl)-4-oxobutanoic acid (12 g, 46.68 mmol, 93.4% yield). Mass spectrometry (ESI-quadrupole) m/z: calculated values of C10H9BrO3 were 255.97, 257.97; measured values: 258.0 (11), 257.0 (98), 256.0 (12), 255.0 (100), 213.0 (18), 211.0 (17) (in negative ion mode). High performance liquid chromatography (HPLC) retention time: 24.4 min. 1H NMR (500 MHz, DMSO-d6) δ: 2.59 (2H, triple peaks, J=6.5 Hz, CH2), 3.21 (2H, triple peaks, J=6.5 Hz, CH2), 7.88 (2H, double peaks, J=8.8 Hz, ArH), 7.96 (2H. double peak, J=8.8Hz, ArH), 12.19 (1H, broad single peak, OH).

References

[1] Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 365, p. 181 - 188
[2] Journal of Organic Chemistry, 2001, vol. 66, # 22, p. 7283 - 7286
[3] Organic Syntheses, 2002, vol. 79, p. 204 - 204
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4345 - 4359
[5] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

3-(4-BROMOBENZOYL)PROPIONIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-(4-BROMOBENZOYL)PROPIONIC ACID manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
3-(4-BROMOBENZOYL)PROPIONIC ACID 6340-79-0
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-10-10
Zhuozhou Wenxi import and Export Co., Ltd
Product
3-(4-BROMOBENZOYL)PROPIONIC ACID 6340-79-0
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-08-11
Career Henan Chemical Co
Product
3-(4-BROMOBENZOYL)PROPIONIC ACID 6340-79-0
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100KG
Release date
2019-12-25

6340-79-0, 3-(4-BROMOBENZOYL)PROPIONIC ACIDRelated Search:

3-(4-BROMOBENZOYL)PROPIONIC ACID 4-(4-BROMOPHENYL)-2-(4-CHLOROPHENYLTHIO)-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-2-INDOL-3-YL-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-4-OXO-2-[(2-THIENYLMETHYL)AMINO]BUTANOIC ACID CIS-2-(4-BROMOBENZOYL)-1-CYCLOHEXANE-CARBOXYLIC ACID 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER 4-(4-BROMOPHENYL)-2-(7-ETHYLINDOL-3-YL)-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-2-(1-METHYLINDOL-3-YL)-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-2-(4-METHYLPIPERAZINYL)-4-OXOBUTANOIC ACID 4-(4-bromophenyl)-2-[(3-methylphenyl)sulfanyl]-4-oxobutanoic acid 4-(4-BROMOPHENYL)-2-(CYCLOHEXYLSULFANYL)-4-OXOBUTANOIC ACID 2-(BENZYLAMINO)-4-(4-BROMOPHENYL)-4-OXOBUTANOIC ACID 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid 4-(4-BROMOPHENYL)-2-[(4-CHLOROBENZYL)SULFANYL]-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-2-(4-CHLOROPHENYL)-4-OXOBUTANOIC ACID ETHYL 4-(4-BROMOPHENYL)-4-OXO-2-(PHENYLCARBONYL)BUTANOATE 4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID 4-(4-BROMOPHENYL)-2-MORPHOLINO-4-OXOBUTANOIC ACID

  • TIMTEC-BB SBB000956
  • 3-(P-BROMOBENZOYL)PROPIONIC ACID
  • 4-(4-BROMOPHENYL)-4-OXOBUTANOIC ACID
  • 4-(4-BROMOPHENYL)-4-OXOBUTYRIC ACID
  • BETA-(P-BROMOBENZOYL)PROPIONIC ACID
  • Benzenebutanoic acid, 4-bromo-gamma-oxo-
  • 3-(4-BROMOBENZOYL)PROPIONIC ACID
  • 3-(4-BROMOBENZOYL)PROPIONIC ACID, 98+%
  • 3-(4-Bromobenzoyl)propanoic acid
  • 4-Bromo-γ-oxobenzenebutanoic acid
  • 4-Oxo-4-(4-bromophenyl)butanoic acid
  • γ-Oxo-4-bromobenzenebutyric acid
  • 3-(4-Bromobenzoyl)propionic acid,97%
  • Benzenebutanoic acid, 4-bromo-γ-oxo-
  • JRH-05503, 4-(4-Bromophenyl)-4-oxobutanoic acid, 97%
  • β-(4-Bromophenyl)propionic acid
  • 3-(4-Bromobenzoyl)propionic Acid &gt
  • 3-(4-Bromobenzoyl)propionicAci
  • NSC 51068
  • 4-Bromo-γ-oxobenzenebutanoic acid
  • 6340-79-0
  • 6430-79-0
  • CARBOXYLIC ACID
  • Building Blocks
  • Carboxylic Acids
  • Carbonyl Compounds
  • C10
  • Organic Building Blocks
  • Aromatic Propionic Acids
  • C10
  • Carbonyl Compounds
  • Carboxylic Acids