2-Brompropionsure
2-Bromopropionic acid
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Grundinformationen
- CAS
598-72-1- Standard-SMILES
CC(Br)C(=O)O- InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N- Summenformel
- C3H5BrO2
- Durchschnittliche Molmasse
- 152,97 g/mol
- Monoisotopische Masse
- 151,94729
Überblick
RN given refers to cpd without isomeric designation
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromopropionic acid
- IUPAC
- 2-bromopropanoic acid
- Lokaler Name
- 2-Brompropionsure
- Englischer Name
- 2-Bromopropionic acid
- Summenformel
- C3H5BrO2
- Molmasse
- 152.97
Namen und Synonyme
2-BROMOPROPIONIC ACID2-Bromopropanoic acid598-72-1Propanoic acid, 2-bromo-alpha-Bromopropionic acidDTXSID9027233UE0XVY2DT6NSC-172J631IDTXCID207233RefChem:85900209-947-6
Weitere Namen anzeigen
(S)-2-BROMOPROPANOIC ACID2-BROMOPROPANAMIDEA-BROMOPROPIONIC ACID2-broMide3-(3-(4'2-Bromopropion-Bromo-[1,1'DL-2-BromopropionicRARECHEM AL BO 1266
Propionic acid, 2-bromo-DL-2-Bromopropionic acidPropanoic acid, bromo-bromopropionic acid.alpha.-Bromopropionic acid(+/-)-2-Bromopropionic acid(+/-)-2-Bromopropanoic acid(R)-(+)-2-BromopropionicAcid
Datenbank-Bezeichner
- CAS
598-72-1- PubChem CID
- 11729
- DTXSID
DTXSID9027233- ChEMBL
CHEMBL3182324- UNII
- UE0XVY2DT6
- EC Number
- 209-947-6
- Nikkaji
- J480D、J631I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 61,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
LogP0.92
Vapor Pressure0.29 [mmHg]
Physical Description
Liquid
Colorless melt; mp = 25 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 25.7 °C · 25.7°C
- Siedepunkt
- 203 °C · 203 °C (lit.)
- Dichte
- 1.7 g/mL · 1.7 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.475(lit.)
- Flammpunkt
- 212 °F · 212 °F
- storage temp.
- room temp
- Aggregatzustand
- Liquid After Melting
- pka
- 1 · pK1: 2.971 (25°C)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-bromo-
Propanoic acid, 2-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-bromopropionic acid (EC: 209-947-6)
2-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other degenerative changes in brain, ataxia, changes in sodium, and muscle weakness in 2- and 3-day intermittent oral studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Bromopropionic acid.
Hazard Classes and CategoriesAcute Tox. 3 (69.9%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Propanoic acid, 2-bromo-: ACTIVE
Anwendungen
VerwendenIt is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds.
Darstellung
synthetische2-Bromopropionic acid is obtained by bromination of propionic acid. Add propionic acid and phosphorus trichloride to the reaction kettle, keep the temperature at 80°C, slowly add bromine to the reaction solution dropwise, and heat up to 85°C after the addition of bromine, and raise the temperature to 100°C when the color of bromine disappears completely, it takes about 2~3h, and then the bromine and hydrobromic acid are recovered under reduced pressure, and then the finished product is obtained by distillation under reduced pressure.
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