(2R)-2-bromopropanoic acid

• ChemBase ID: 152664
• Molecular Formular: C3H5BrO2
• Molecular Mass: 152.9746
• Monoisotopic Mass: 151.9472914
• SMILES: C[C@H](C(=O)O)Br
• Canonical SMILES: C[C@H](C(=O)O)Br
• InChI: InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
• InChIKey: MONMFXREYOKQTI-UWTATZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-bromopropanoic acid
• IUPAC Traditional name: (2R)-2-bromopropanoic acid
• Synonyms: (R)-(+)-2-Bromopropionic acid; (R)-(+)-2-溴丙酸

Database IDs

• CAS Number: 10009-70-8
• MDL Number: MFCD00145205
• Beilstein Number: 1720262
• PubChem SID: 162246807; 24850950
• PubChem CID: 6992152

CALCULATED PROPERTIES

• Acid pKa: 2.8647847
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.515819
• LogD (pH = 7.4): -2.4203494
• Log P: 1.0682576
• Molar Refractivity: 24.8743 cm^3
• Polarizability: 9.901194 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F
• Density: 1.692 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.475
• Optical Rotation: [α]20/D +26±2°, neat

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (sum of enantiomers, GC)
• Empirical Formula (Hill Notation): C3H5BrO2

DETAILS

Sigma Aldrich - 18165

Caution
may discolor to brownish on storage
Packaging
10 mL in glass bottle