1-chloro-1,2,2-trifluoroethene

• ChemBase ID: 94604
• Molecular Formular: C2ClF3
• Molecular Mass: 116.4696096
• Monoisotopic Mass: 115.96406234
• SMILES: FC(=C(F)F)Cl
• Canonical SMILES: FC(=C(F)F)Cl
• InChI: InChI=1S/C2ClF3/c3-1(4)2(5)6
• InChIKey: UUAGAQFQZIEFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,2-trifluoroethene
• IUPAC Traditional name: chlorotrifluoroethylene
• Synonyms: 1-Chloro-1,2,2-trifluoroethene; (FC-1113); Chlorotrifluoroethylene (FC-1113) 99%; Chlorotrifluoroethene; Chlorotrifluoroethylene; CTFE; Chlorotrifluoroethylene; 三氟氯乙烯

Database IDs

• CAS Number: 79-38-9
• EC Number: 201-201-8
• MDL Number: MFCD00000822
• PubChem SID: 24857763; 162081258
• PubChem CID: 6594
• Chemspider ID: 6345
• Wikipedia Title: Chlorotrifluoroethylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.752698
• LogD (pH = 7.4): 1.752698
• Log P: 1.752698
• Molar Refractivity: 36.87 cm^3
• Polarizability: 6.007337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless gas
• Melting Point: -158 °C(lit.); -158.2°C
• Boiling Point: -27°C; -27.8°C; -28.4 °C(lit.)
• Density: 1.54 g/cm^3 at −60°C
• Vapor Density: 4.13 (vs air)

Safety Information

• Storage Warning: Extremely Flammable/Toxic
• RTECS: KV0525000
• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 1082
• German water hazard class: 3
• Hazard Class: 2.3
• Risk Statements: 12-20/22
• Safety Statements: 16-38
• GHS Pictograms: GHS02; GHS04; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H301-H331
• GHS Precautionary statements: P210-P261-P301 + P310-P311-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1082 2.3

Product Information

• Purity: 98%
• Contains: 1% tributylamine as inhibitor
• Linear Formula: ClCF=CF2

DETAILS

Apollo Scientific Ltd - PC2050

A versatile building block, ask for details.. Cylinder - CGA 350 connection, Inhibited with d-limonene

Sigma Aldrich - 295167

Packaging
100, 900 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.