1,1,1,2,3,4,4,4-Octafluorobut-2-ene

HCID 9678

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 360-89-4
Standard SMILES: FC(=C(F)C(F)(F)F)C(F)(F)F
InChIKey: WSJULBMCKQTTIG-UHFFFAOYSA-N
Molecular formula: C4F8
Average molar mass: 200.03 g/mol
Monoisotopic mass: 199.98722576

Overview

See also: Perfluoro-2-butene (annotation moved to).

Names & identifiers

Preferred name: 1,1,1,2,3,4,4,4-Octafluorobut-2-ene
IUPAC: 1,1,1,2,3,4,4,4-octafluorobut-2-ene
English name: Octafluoro-2-butene
Molecular formula: C4F8
Molecular weight: 200.03

Names & synonyms

1,1,1,2,3,4,4,4-Octafluorobut-2-eneRefChem:409362octafluoro-but-2-ene2-Butene,1,1,1,2,3,4,4,4-octafluoro-SCHEMBL105368DB-266585NS000190051,1,1,2,3,4,4,4-octafluoro-but-2-enePERFLUORO-2-BUTENENA 2422FC-1318r1318my

Show more names

R 1318MyFC-1318MYBrn 1783460PERFLUOROBUTENEEinecs 206-640-9PERFLUOROBUTENE-2

Database identifiers

CAS: 360-89-4
PubChem CID: 9678
DTXSID: DTXSID3059890
EC Number: 206-640-9

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

Melting point: -136 °C · -136°C
Boiling point: 1 · 1,2°C
Density: 1.5297 · 1.5297
refractive index: 1.248 · 1.2480 (estimate)
form: A liquid
EWG's Food Scores: 1 · 1
FDA UNII: 810 DTF5LG · W810DTF5LG
EPA Substance Registry System: 2 · 2-Butene, 1,1,1,2,3,4,4,4-octafluoro- (360-89-4)
Symbol(GHS): 4 · GHS04,GHS07
Signal word: Warning
Hazard statements: 280 · H280-H332
Precautionary statements: 261 · P261-P271-P304+P340-P312
Hazard Codes: Xi
Safety Statements: 23 · 23-38
RIDADR: 2422 · UN 2422 (OCTAFLUOROBUT-2-ENE (REFRIGERANT GAS R 1318))
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 2.2 · 2.2
HS Code: 2903590090 · 2903590090
Toxicity: 99 pph/10M · sln-dmg-ihl 99 pph/10M ENVRAL 7,275,74

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P261, P271, P304+P340, P317, and P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesPress. Gas (Liq.) (100%)

Safety data

tsca: TSCA listed
ridadr: UN 2422 (OCTAFLUOROBUT-2-ENE (REFRIGERANT GAS R 1318))
hs_code: 2903590090
Toxicity: sln-dmg-ihl 99 pph/10M ENVRAL 7,275,74
Signal word: Warning
Symbol(GHS): GHS04,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-38
hazard_class: 2.2
Hazard statements: H280-H332
Precautionary statements: P261-P271-P304+P340-P312

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Applications

General DescriptionA colorless, nonflammable gas. May asphyxiate by the displacement of air. Under prolonged exposure to fire or heat the containers may rupture violently and rocket. Used to make other chemicals.