1-chloro(2H5)ethane

• ChemBase ID: 134930
• Molecular Formular: C2H5Cl
• Molecular Mass: 64.5141
• Monoisotopic Mass: 64.00797784
• SMILES: CCCl
• Canonical SMILES: CCCl
• InChI: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
• InChIKey: HRYZWHHZPQKTII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro(^2H₅)ethane
• IUPAC Traditional name: 1-chloro(^2H₅)ethane
• Synonyms: Ethyl chloride-d5; Chloroethane-d5; 乙基氯-d5; 氯乙烷-d5

Database IDs

• CAS Number: 19199-91-8
• MDL Number: MFCD00143956
• PubChem SID: 162229205
• PubChem CID: 56845945

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1928227
• LogD (pH = 7.4): 1.1928227
• Log P: 1.1928227
• Molar Refractivity: 16.0609 cm^3
• Polarizability: 6.2453437 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -50 °C; -58 °F
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 12-40-52/53
• Safety Statements: 9-16-33-36/37-61
• GHS Pictograms: GHS02; GHS04; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H351-H412
• GHS Precautionary statements: P210-P273-P281

Product Information

• Isotopic Purity: 98 atom % D
• Linear Formula: CD3CD2Cl

DETAILS

Sigma Aldrich - 613932

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.