1,1,2,2,3-pentachlorocyclopropane

• ChemBase ID: 149003
• Molecular Formular: C3HCl5
• Molecular Mass: 214.30504
• Monoisotopic Mass: 211.85208843
• SMILES: C1(C(C1(Cl)Cl)(Cl)Cl)Cl
• Canonical SMILES: ClC1C(C1(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C3HCl5/c4-1-2(5,6)3(1,7)8/h1H
• InChIKey: IACJMSLMMMSESC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3-pentachlorocyclopropane
• IUPAC Traditional name: cyclopropane, pentachloro-
• Synonyms: Pentachlorocyclopropane; 五氯环丙烷

Database IDs

• CAS Number: 6262-51-7
• MDL Number: MFCD00010796
• PubChem SID: 162243172; 24857656
• PubChem CID: 22631

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.859251
• LogD (pH = 7.4): 3.859251
• Log P: 3.859251
• Molar Refractivity: 38.0235 cm^3
• Polarizability: 15.1844225 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55-56 °C/7 mmHg(lit.)
• Flash Point: 101 °C; 213.8 °F
• Density: 1.668 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5169(lit.)

Safety Information

• RTECS: GZ2214500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90%
• Grade: technical grade
• Empirical Formula (Hill Notation): C3HCl5

DETAILS

Sigma Aldrich - 293458

Packaging
5 g in glass bottle