ChemicalBook--->CAS DataBase List--->590-92-1

590-92-1

590-92-1 Structure

590-92-1 Structure
IdentificationMore
[Name]

3-Bromopropionic acid
[CAS]

590-92-1
[Synonyms]

3-BROMOPROPIONIC ACID
3-BROMPROPIONIC ACID
B-BROMOPROPIONIC ACID
BETA-BROMOPROPIONIC ACID
RARECHEM AL BO 0160
2-Carboxyethyl bromide
2-carboxyethylbromide
3-Bromopropanoic acid
3-bromo-propanoicaci
3-bromopropanoicacid
3-bromo-Propanoicacid
3-bromo-propionicaci
3-Bromoprpionicacid
beta-bromopropanoicacid
-Bromopropionicacid
Propanoicacid,3-bromo-
Propionic acid, 3-bromo-
3-Bromopropionicacid,98%
BETA-BROMOPRIOPIONICACID
3-BROMOPROPIONIC ACID (BETA-) 98+%
[EINECS(EC#)]

209-694-1
[Molecular Formula]

C3H5BrO2
[MDL Number]

MFCD00002763
[Molecular Weight]

152.97
[MOL File]

590-92-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to pale yellow or orange crystalline
[Melting point ]

58-62 °C(lit.)
[Boiling point ]

140-142 °C (45 mmHg)
[density ]

1.48 g/mL at 25 °C(lit.)
[refractive index ]

1.4753 (estimate)
[Fp ]

150 °F
[storage temp. ]

2-8°C
[solubility ]

H2O: 0.1 g/mL, clear
[form ]

Crystals or Crystalline Powder
[pka]

4.00(at 25℃)
[color ]

White to slightly yellow
[Water Solubility ]

0.1 g/mL
[Detection Methods]

T,NMR
[Merck ]

14,1433
[BRN ]

1071333
[Dielectric constant]

11.0(20℃)
[CAS DataBase Reference]

590-92-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, 3-bromo-(590-92-1)
[EPA Substance Registry System]

590-92-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[RTECS ]

UE7875000
[Hazard Note ]

Corrosive/Highly Flammable
[TSCA ]

Yes
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29159080
[Safety Profile]

Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Br-. See also BROMIDES.
[Hazardous Substances Data]

590-92-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Hydroxypropionitrile-->2-Bromopropionic acid-->3-Chloropropionic acid-->tert-Butyl(3-butynyloxy)diphenylsilane-->T-BUTYL 3-BROMOPROPIONATE 97-->Heptanoic acid-->N-BUTYLMAGNESIUM BROMIDE-->3-BROMOPROPIONITRILE-->Acrylic acid-->3-Bromo-1-propanol-->2-Chloropropionic acid
[Preparation Products]

4H-AMINO-6-BROMO-2,3-DIHYDROTHIOCHROMEN-1,1-DIOXIDE-->4-Hydroxy-6-bromo-2,3-dihydrothiochromen-1,1-dioxide-->2-Oxetanone-->6-bromo-2,3-dihydrothiochromen-1,1-dioxide-4-one-->6-bromo-2,3-dihydrothiochromen-4-one-->3-(4-OXO-6-PHENYL-1,4-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID-->3-Bromopropionyl chloride-->Ethyl 3-bromopropionate-->4-Chromanone-->6-carboxyhexyl triphenylphosphonium bromide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromopropionic acid(590-92-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white to pale yellow or orange crystalline
[Uses]

3-Bromopropionic acid used as quaternization agent in amperometric biosensors.
[Application]

3-Bromopropionic acid is a widely used chemical intermediate. It can be used as a starting material to synthesize derivatives such as esters, acid halides and amides; the active group bromine can undergo a series of reactions, and is mainly used in the fields of pesticides and medicines. Such as the pesticides diflufenacil, furalax and so on.
[Preparation]

3-Bromopropionic acid is prepared by reacting acrylonitrile with hydrogen bromide to obtain bromopropionitrile and then hydrolyzing it. Add acrylonitrile to boiling hydrobromic acid, reflux at 130°C for 6 hours, extract the solid obtained by filtration with ethanol, and obtain the crude product after recovering ethanol by distillation under reduced pressure. By heating 2-cyanoethanol and 40% hydrobromic acid to reflux for 2h, 3-bromopropionic acid can also be produced with a yield of over 80%.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 71, p. 2807, 1949 DOI: 10.1021/ja01176a061
Organic Syntheses, Coll. Vol. 1, p. 131, 1941
[Purification Methods]

The acid crystallises as plates from CCl4. It is soluble in organic solvents and H2O. Its methyl ester has b 65o/18mm and 80o/27mm. The S-benzylisothiouronium salt has m 136o. [Kendall & McKenzie Org Synth Coll Vol I 131 1941, Beilstein 2 IV 764.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromopropionic acid(590-92-1)MS
3-Bromopropionic acid(590-92-1)1HNMR
3-Bromopropionic acid(590-92-1)13CNMR
3-Bromopropionic acid(590-92-1)IR1
3-Bromopropionic acid(590-92-1)IR2
3-Bromopropionic acid(590-92-1)IR3
3-Bromopropionic acid(590-92-1)IR
3-Bromopropionic acid(590-92-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromopropionic acid, 99%(590-92-1)
[Alfa Aesar]

3-Bromopropionic acid, 97%(590-92-1)
[Sigma Aldrich]

590-92-1(sigmaaldrich)
[TCI AMERICA]

3-Bromopropionic Acid,>98.0%(GC)(T)(590-92-1)
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