CAS 109993-33-1 4,5,5-Trifluoro-4-penten-1-ol (HCID 2777933)

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Basic information

CAS: 109993-33-1
Standard SMILES: OCCCC(F)=C(F)F
InChIKey: FQJKNDRBOYATRC-UHFFFAOYSA-N
Molecular formula: C5H7F3O
Average molar mass: 140.1 g/mol
Monoisotopic mass: 140.0448995

Names & identifiers

Preferred name: 4,5,5-Trifluoro-4-penten-1-ol
IUPAC: 4,5,5-trifluoropent-4-en-1-ol
English name: 4,5,5-Trifluoropent-4-en-1-ol
Molecular formula: C5H7F3O
Molecular weight: 140.1

Names & synonyms

4,5,5-trifluoro-4-penten-1-olRefChem:507483671-747-34,5,5-trifluoropent-4-en-1-ol109993-33-1MFCD00156073SCHEMBL864872SCHEMBL864873DTXSID80380716KCWCUTFIXVYRRV-UHFFFAOYSA-NSBB086121AKOS006229193

Show more names

4,4,5-TRIFLUOROPENT-4-EN-1-OL4-Penten-1-ol, 4,5,5-trifluoro-4,5,5-Trifluoropent-4-en-1-ol95%4,5,5-Trifluoropent-4-en-1-ol97%4,5,5-Trifluoropent-4-en-1-ol 97%5-Hydroxy-1,1,2-trifluoropent-1-ene

Database identifiers

CAS: 109993-33-1
PubChem CID: 2777933
DTXSID: DTXSID80380716
EC Number: 671-747-3
Nikkaji: J1.027.277G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 107

Physicochemical properties

Boiling point: 48 °C · 48 °C
Density: 1.185 · 1.185±0.06 g/cm3(Predicted)
pka: 14.87 · 14.87±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2905190098 · 2905190098

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.