1-chloro(2-13C)ethane

• ChemBase ID: 135352
• Molecular Formular: C2H5Cl
• Molecular Mass: 65.50675484
• Monoisotopic Mass: 65.01133268
• SMILES: [13CH3]CCl
• Canonical SMILES: [13CH3]CCl
• InChI: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3/i1+1
• InChIKey: HRYZWHHZPQKTII-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro(2-^1^3C)ethane
• IUPAC Traditional name: 1-chloro(2-^1^3C)ethane
• Synonyms: Ethyl chloride-2-13C; Chloroethane-2-13C; 乙基氯-2-13C; 氯乙烷-2-13C

Database IDs

• CAS Number: 117890-48-9
• MDL Number: MFCD01075593
• PubChem SID: 162229626
• PubChem CID: 71309232

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: 6.2497373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 12.3 °C(lit.)
• Flash Point: -50 °C; -58 °F
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 1037
• German water hazard class: 2
• Hazard Class: 2.1
• Risk Statements: 12-40-52/53
• Safety Statements: 9-16-33-36/37-61
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H351-H412
• GHS Precautionary statements: P210-P273-P281-P410 + P403
• RID/ADR: UN 1037 2.1

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: 13CH3CH2Cl

DETAILS

Sigma Aldrich - 588814

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.