2,2-Bis(trifluoromethyl)oxirane - ≥99% , CAS No.31898-68-7

CAS: 31898-68-7 Cat. No.: B342929 Molecular Weight: 180.05 EC Number: 803-996-2
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Hexafluoroisobutylene epoxide | 2,2-bis[trifluoromethyl]oxirane | Oxirane, 2,2-bis(trifluoromethyl)- | Oxirane,2,2-bis(trifluoromethyl)- | 2,2-bis(trifluoromethyl)oxirane | HFIBO
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B342929-250mg
3
$50.90
1g
B342929-1g
5
$119.90
5g
B342929-5g
1
$369.90
25g
B342929-25g
1
$1,039.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Hexafluoroisobutylene epoxide | 2, 2-bis[trifluoromethyl]oxirane | Oxirane, 2, 2-bis(trifluoromethyl)- | Oxirane, 2, 2-bis(trifluoromethyl)- | 2, 2-bis(trifluoromethyl)oxirane | HFIBO
Specifications & Purity
≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Pubchem Sid504766459
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504766459
Canonical SmilesC1C(O1)(C(F)(F)F)C(F)(F)F
IUPAC Name2,2-bis(trifluoromethyl)oxirane
InChIKeyNYZSKEULTVZUAW-UHFFFAOYSA-N
INCHI1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
Isomeric SMILES C1C(O1)(C(F)(F)F)C(F)(F)F
Molecular Weight 180.05
Reaxy-Rn 2206769
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206769&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassEpoxides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentEpoxides
Alternative Parents Oxacyclic compounds  Dialkyl ethers  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot NumberCertificate TypeDateItem
H2325192Certificate of AnalysisJun 09, 2026 B342929
H2325193Certificate of AnalysisJun 09, 2026 B342929
H2325196Certificate of AnalysisJun 09, 2026 B342929
H2325197Certificate of AnalysisJun 09, 2026 B342929
H2325198Certificate of AnalysisJun 09, 2026 B342929
H2325199Certificate of AnalysisJun 09, 2026 B342929
E2406296Certificate of AnalysisApr 25, 2024 B342929
E2406310Certificate of AnalysisApr 25, 2024 B342929
E2406312Certificate of AnalysisApr 25, 2024 B342929
E2615128Certificate of AnalysisApr 25, 2024 B342929
H2507138Certificate of AnalysisApr 25, 2024 B342929
H2325194Certificate of AnalysisAug 02, 2023 B342929
H2325195Certificate of AnalysisAug 02, 2023 B342929

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Chemical and Physical Properties
Refractive Indexn20D1.30 (Predicted)
Boil Point(°C)41-42° C
Melt Point(°C)-85.83° C (Predicted)
Molecular Weight180.050 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass180.001 Da
Monoisotopic Mass180.001 Da
Topological Polar Surface Area12.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity152.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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