1,2-dibromo(1,2-14C2)ethane

• ChemBase ID: 131744
• Molecular Formular: C2H4Br2
• Molecular Mass: 191.84624398
• Monoisotopic Mass: 189.87445811
• SMILES: [14CH2]([14CH2]Br)Br
• Canonical SMILES: Br[14CH2][14CH2]Br
• InChI: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1+2,2+2
• InChIKey: PAAZPARNPHGIKF-XPULMUKRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo(1,2-^1^4C₂)ethane
• IUPAC Traditional name: 1,2-dibromo(1,2-^1^4C₂)ethane
• Synonyms: Ethylene-14C2 dibromide; 1,2-Dibromoethane-1,2-14C

Database IDs

• CAS Number: 22712-78-3
• MDL Number: MFCD00055665
• PubChem SID: 24858380; 162226021
• PubChem CID: 12998454

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8714951
• LogD (pH = 7.4): 1.8714951
• Log P: 1.8714951
• Molar Refractivity: 26.6226 cm^3
• Polarizability: 10.465909 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Nature polluting (N); R; Toxic (T)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 45-46-60-23/24/25-51/53
• Safety Statements: 53-23-26-36/37/39-45
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 10-30 mCi per mmol

DETAILS

Sigma Aldrich - 304646

包装
sealed ampule