(2R)-2-chloropropanoic acid

• ChemBase ID: 131847
• Molecular Formular: C3H5ClO2
• Molecular Mass: 108.5236
• Monoisotopic Mass: 107.99780708
• SMILES: C[C@H](C(=O)O)Cl
• Canonical SMILES: C[C@H](C(=O)O)Cl
• InChI: InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
• InChIKey: GAWAYYRQGQZKCR-UWTATZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-chloropropanoic acid
• IUPAC Traditional name: (+)-2-chloropropanoic acid
• Synonyms: (R)-(+)-2-Chloropropionic acid; (R)-(+)-2-氯丙酸

Database IDs

• CAS Number: 7474-05-7
• MDL Number: MFCD00064204
• Beilstein Number: 1720258
• PubChem SID: 162226124; 24858501; 24855817
• PubChem CID: 2724540

CALCULATED PROPERTIES

• Acid pKa: 3.4175816
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1879898
• LogD (pH = 7.4): -2.515642
• Log P: 0.8827623
• Molar Refractivity: 21.8908 cm^3
• Polarizability: 8.7767315 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 185-188 °C(lit.)
• Flash Point: 101 °C; 140 °F; 213.8 °F; 60 °C
• Density: 1.258 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.4345(lit.); n20/D 1.435
• Optical Rotation: [α]20/D +14±0.5°, neat; [α]20/D +14°, neat

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2511
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-35
• Safety Statements: 23-26-28-36-45
• 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 2511 8/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: ≥99.0% (sum of enantiomers, GC); 99%
• Grade: purum
• Linear Formula: CH3CH(Cl)CO2H

DETAILS

Sigma Aldrich - 306800

Packaging
1 g in glass bottle