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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777083Generated: October 25, 2026

4,4,4-Trifluorobutanal

4,4,4-TRIFLUOROBUTANAL · 5,5,5-trifluoropentanal · 4,4,4-trifluorobutyralde · Butanal,4,4,4-trifluoro- · 4,4,4-Trifluorobutanal 95% · 3-(Trifluoromethyl)propanal · 4,4,4-Trifluorobutyraldehyde · 3,3,3-Trifluoropropanaldehyde

https://huagongshe.com/en/chemical/2777083

4,4,4-Trifluorobutanal molecular structure

Identifiers & Physical Properties

CAS No.406-87-1
Molecular formulaC4H5F3O
Average molar mass126.08 g/mol
Monoisotopic mass126.02924944 g/mol
SMILESO=CCCC(F)(F)F
InChIKeySCJCDNUXDWFVFI-UHFFFAOYSA-N
PubChem CID2777083
EC No.691-630-0
DTXSIDDTXSID10380365

Chemical & Physical Properties

XLogP1.1
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds2
Heavy atoms8
Formal charge0
Complexity75.8
Boiling point94-97°C
Density1,2 g/cm3
Refractive index1.3387 (589.3 nm 25℃)
Flash point-4°
InChIInChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
InChIKeySCJCDNUXDWFVFI-UHFFFAOYSA-N
SMILESC(=O)CCC(F)(F)F
GHS pictogramGHS02
Signal wordDanger
GHS hazard statementsH225
GHS precautionary statementsP210
Hazard symbolsF,Xi,Xn
Risk statements (R)36/37/38-51-36-22
Safety statements (S)26-36
UN transport numberUN1993
Hazard NoteFlammable
Hazard classIRRITANT, FLAMMABLE
Customs code29121900
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classificationDangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesFlam. Liq. 2 (33.3%)
UN transport numberUN1993
Customs code29121900
Risk statements (R)36/37/38-51-36-22
Signal wordDanger
GHS pictogramGHS02
Hazard symbolsF,Xi,Xn
hazard_noteFlammable
Safety statements (S)26-36
Hazard classIRRITANT, FLAMMABLE
GHS hazard statementsH225
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
GHS precautionary statementsP210