1,1-dibromo-2,2-bis(chloromethyl)cyclopropane

• ChemBase ID: 75245
• Molecular Formular: C5H6Br2Cl2
• Molecular Mass: 296.81514
• Monoisotopic Mass: 293.82132955
• SMILES: BrC1(CC1(CCl)CCl)Br
• Canonical SMILES: ClCC1(CCl)CC1(Br)Br
• InChI: InChI=1S/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2
• InChIKey: RCRVZCIUKQNOIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2,2-bis(chloromethyl)cyclopropane
• IUPAC Traditional name: 1,1-dibromo-2,2-bis(chloromethyl)cyclopropane
• Synonyms: 1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane; 1,1-Bis(chloromethyl)-2,2-dibromocyclopropane; 1,1-DibroMo-2,2-bis(chloroMethyl)cyclopropane; 1,1-二溴-2,2-二(氯甲基)环丙烷

Database IDs

• CAS Number: 98577-44-7
• MDL Number: MFCD00101445
• PubChem SID: 24864531; 162040163
• PubChem CID: 534192

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7734644
• LogD (pH = 7.4): 2.7734644
• Log P: 2.7734644
• Molar Refractivity: 48.2797 cm^3
• Polarizability: 18.99329 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-50 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 97%
• Grade: technical grade
• Linear Formula: Br2C3H2(CH2Cl)2

DETAILS

Sigma Aldrich - 393665

Packaging
1, 10 g in glass bottle