trichloro(fluoro)methane

• ChemBase ID: 129979
• Molecular Formular: CCl3F
• Molecular Mass: 137.3681032
• Monoisotopic Mass: 135.90496126
• SMILES: ClC(Cl)(Cl)F
• Canonical SMILES: FC(Cl)(Cl)Cl
• InChI: InChI=1S/CCl3F/c2-1(3,4)5
• InChIKey: CYRMSUTZVYGINF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(fluoro)methane
• IUPAC Traditional name: trichlorofluoromethane
• Synonyms: Trichlorofluoromethane solution; Trichloro(fluoro)methane; Fluorotrichloromethane; Fluorochlorofore; Freon 11, CFC 11, R 11, Arcton 9, Freon 11e; Freon 11e; Freon He; Freon MF; Trichlorofluoromethane; CFC-11; Freon® 11; Trichlorofluoromethane; 三氯氟甲烷 溶液; 三氯氟甲烷溶液; 三氯氟甲烷 溶液; 氟三氯甲烷; 三氯氟甲烷

Database IDs

• CAS Number: 75-69-4
• EC Number: 200-892-3; 200-659-6
• MDL Number: MFCD00000784
• Beilstein Number: 1732469
• PubChem SID: 162224265; 24872070; 24855278
• PubChem CID: 6389
• CHEBI ID: 48236
• CHEMBL: 348290
• Chemspider ID: 6149
• Unique Ingredient Identifier: 990TYB331R
• Wikipedia Title: Trichlorofluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.709013
• LogD (pH = 7.4): 2.709013
• Log P: 2.709013
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 8.398815 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.1 g/l at 20 °C in water
• Apperance: Colorless liquid/gas
• Melting Point: -110.48 °C; -111--110 °C(lit.)
• Boiling Point: 23.7 °C(lit.); 23.77 °C
• Flash Point: 11 °C; 51.8 °F; Non-flammable
• Density: 1.494 g/cm^3; 1.494 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.3821(lit.)
• Vapor Pressure: 12.85 psi ( 20 °C); 39.17 psi ( 55 °C); 89 kPa at 20 °C; 131 kPa at 30 °C
• Vapor Density: 5.04 (vs air)
• Partition Coefficient: 2.53

Safety Information

• RTECS: PB6125000; TB6125000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Irritant (Xi); Harmful (Xn)
• UN Number: 1090; 1230; 2810
• German water hazard class: 1; 2
• Hazard Class: 3; 6.1
• Packing Group: 2; 3
• Risk Statements: 11-23/24/25-39/23/24/25; 11-23/24/25-39/23/24/25-59; 11-36-59-66-67; 21-59
• Safety Statements: 16-36/37-45-59; 36/37-59; 7-16-36/37-45; 9-16-26-59-61
• EU Index: Not listed
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• Main Hazard: Ozone depletor
• GHS Hazard statements: H225-H301 + H311 + H331-H370; H225-H301 + H311 + H331-H370-H420; H312-H420
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P273-P280-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1090 3/PG 2; UN 1230 3/PG 2; UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5%
• Concentration: 10% in acetone-d6 (99.9 atom % D); 200 μg/mL in methanol; 5000 μg/mL in methanol
• Grade: analytical standard; NMR grade; NMR reference standard
• Compostion: 1,2-dichloro-1,1-difluoroethane, 1%; TMS, 6%
• Packaging: ampule of 1 mL; ampule of 5000 mg
• NMR tube O.D. × L: 5 mm × 8 in.
• Linear Formula: Cl3CF

DETAILS

Sigma Aldrich - 254991

Packaging
100, 800 mL in Sure/Seal™
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Legal Information
Freon is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 326305

Packaging
Packaged in ampules
Legal Information
Freon is a registered trademark of E. I. du Pont de Nemours and Company

Sigma Aldrich - 710717

Features and Benefits
19F Sensitivity

Sigma Aldrich - 48541

Legal Information
Freon is a registered trademark of E. I. du Pont de Nemours and Company