hexachloroprop-1-ene

• ChemBase ID: 110310
• Molecular Formular: C3Cl6
• Molecular Mass: 248.7501
• Monoisotopic Mass: 245.81311608
• SMILES: ClC(=C(Cl)C(Cl)(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(C(Cl)(Cl)Cl)Cl)Cl
• InChI: InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9
• InChIKey: VFDYKPARTDCDCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachloroprop-1-ene
• IUPAC Traditional name: perchloropropylene
• Synonyms: Perchloropropene; Hexachloropropene; HEXACHLOROPROPYLENE; Hexachloropropene; 全氯丙烯; 六氯丙烯

Database IDs

• CAS Number: 1888-71-7
• EC Number: 217-560-9
• MDL Number: MFCD00000835
• Beilstein Number: 1766640
• PubChem SID: 24895742; 162095939
• PubChem CID: 15902
• Wikipedia Title: Hexachloropropene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4690223
• LogD (pH = 7.4): 3.4690223
• Log P: 3.4690223
• Molar Refractivity: 56.202 cm^3
• Polarizability: 17.624092 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -73°C; -73°C
• Boiling Point: 209°C; 209-210 °C(lit.); 209-210°C; 210°C
• Density: 1.765; 1.765 g/cm^3 (at 25 ^oC); 1.765 g/mL at 25 °C(lit.)
• Refractive Index: 1.5490; n20/D 1.549(lit.)
• Vapor Density: 8.3 (vs air)

Safety Information

• RTECS: UD0175000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3382; UN3382
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 23-36/37/38; R23, R36/37/38
• Safety Statements: 26-36/37/39-45; 9-23-26-36/37/39-45-60; S26, S36/37/39, S45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H332-H335; H330-H315-H319-H335
• GHS Precautionary statements: P260-P304+P340-P305+P351+P338-P320-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3382 6.1/PG 1

Product Information

• Purity: 95%; 96%
• Linear Formula: CCl3CCl=CCl2

DETAILS

MP Biomedicals - 05214515

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H6401

Packaging
100 g in glass bottle