| Identification | More | [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 Properties | Back 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℃） | [InChI]
1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6) | [InChIKey]
DHXNZYCXMFBMHE-UHFFFAOYSA-N | [SMILES]
OC(=O)CCBr | [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 Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [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 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B | [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) |
| Hazard Information | Back 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.] |
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