1-chloro(2,2,2-2H3)ethane

• ChemBase ID: 139787
• 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(2,2,2-^2H₃)ethane
• IUPAC Traditional name: 1-chloro(2,2,2-^2H₃)ethane
• Synonyms: Ethyl chloride-2,2,2-d3; Chloroethane-2,2,2-d3; 乙基氯-2,2,2-d3; 氯乙烷-2,2,2-d3

Database IDs

• MDL Number: MFCD00143955
• PubChem SID: 162234035
• PubChem CID: 12222051

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: 6.249312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+3

Product Information

• Isotopic Purity: 98 atom % D
• Linear Formula: CD3CH2Cl

DETAILS

Sigma Aldrich - 613924

Packaging
5 g in steel cylinder
Lecture bottle with brass CGA 110/180 valve
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.
Recommended products
Stainless steel control valves Z146951 or Z187224