2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate

• ChemBase ID: 8593
• Molecular Formular: C4Cl2F4O3
• Molecular Mass: 242.9406128
• Monoisotopic Mass: 241.9160621
• SMILES: O=C(C(F)(Cl)F)OC(=O)C(F)(Cl)F
• Canonical SMILES: O=C(C(Cl)(F)F)OC(=O)C(Cl)(F)F
• InChI: InChI=1S/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10
• InChIKey: VBJIFLOSOQGDRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate
• IUPAC Traditional name: 2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate
• Synonyms: Chlorodifluoroacetic anhydride; Chlorodifluoroacetic anhydride; Chloro(difluoro)acetic anhydride 98%; 氯二氟乙酸酐

Database IDs

• CAS Number: 2834-23-3
• EC Number: 220-603-4
• MDL Number: MFCD00000774
• Beilstein Number: 1912832
• PubChem SID: 160971900; 24855179
• PubChem CID: 76074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.365511
• LogD (pH = 7.4): 2.365511
• Log P: 2.365511
• Molar Refractivity: 33.772 cm^3
• Polarizability: 13.096529 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-93°C; 92-93°C; 96-97 °C(lit.); 96-97°C
• Density: 1.393; 1.395; 1.395 g/mL at 25 °C(lit.)
• Refractive Index: 1.347; 1.3470; n20/D 1.347(lit.)

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Store under Argon/Moisture Sensitive; LACHRYMATOR, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21/22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 98%; 98+%
• Linear Formula: (ClCF2CO)2O

DETAILS

MP Biomedicals - 05206809

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC1750

Reagent for derivatisation of amines, alcohols etc, for GC purposes.

Sigma Aldrich - 252069

Packaging
25 g in glass bottle

REFERENCES

• Reagent for the derivatization of amines, alcohols, etc., for GC purposes.