(1S,2S)-1,2-dibromocyclopentane

• ChemBase ID: 140690
• Molecular Formular: C5H8Br2
• Molecular Mass: 227.92502
• Monoisotopic Mass: 225.89927426
• SMILES: C1C[C@@H]([C@H](C1)Br)Br
• Canonical SMILES: Br[C@H]1CCC[C@@H]1Br
• InChI: InChI=1S/C5H8Br2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2/t4-,5-/m0/s1
• InChIKey: LJCGLSZQABMYGU-WHFBIAKZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-1,2-dibromocyclopentane
• IUPAC Traditional name: (1S,2S)-1,2-dibromocyclopentane
• Synonyms: trans-1,2-Dibromocyclopentane; 反式-1,2-二溴环戊烷

Database IDs

• CAS Number: 10230-26-9
• MDL Number: MFCD09836182
• PubChem SID: 162234931
• PubChem CID: 21122219

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8413954
• LogD (pH = 7.4): 2.8413954
• Log P: 2.8413954
• Molar Refractivity: 38.105 cm^3
• Polarizability: 15.024174 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.857 g/mL at 25 °C
• Refractive Index: n20/D 1.550

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H8Br2

DETAILS

Sigma Aldrich - 688223

Packaging
5, 25 g in glass bottle