Heptafluorobutyraldehyde

HCID 67809CAS 375-02-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=CC(F)(F)C(F)(F)C(F)(F)F
InChIKey: IQJZGNJYXIIMGP-UHFFFAOYSA-N
Molecular formula: C3F7CHO
Average molar mass: 198.04 g/mol
Monoisotopic mass: 197.99156219

Names & identifiers

Preferred name: Heptafluorobutyraldehyde
IUPAC: 2,2,3,3,4,4,4-heptafluorobutanal
English name: Heptafluorobutyraldehyde hydrate, tech.
Molecular formula: C4HF7O
Molecular weight: 198.04

Names & synonyms

Heptafluorobutyraldehyde2,2,3,3,4,4,4-HeptafluorobutanalEINECS 206-783-7RefChem:783616206-783-7375-02-0Butanal, heptafluoro-PerfluorobutyraldehydeButyraldehyde, heptafluoro-DTXSID10190946HEPTAFLUOROBUTYRALDEHYDE HYDRATE, TECH.perfluorobutanal

Show more names

HEPTAFLUOROBUTANAL HYDRATEHeptafluorobutyraldehyde, tech.Butanal, 2,2,3,3,4,4,4-heptafluoro-2,2,3,4,4,4-hexafluorobutanoyl fluoride

2,2,3,3,4,4,4-HeptafluorobutyraldehydeC3F7CHOHeptafluoro-n-butyraldehydeRV53GJ29JNSCHEMBL514546SCHEMBL809285AKOS0062296592,2,3,3,4,4,4-Heptafluorobutanal #

Database identifiers

CAS: 375-02-0
PubChem CID: 67809
DTXSID: DTXSID10190946
UNII: RV53GJ29JN
EC Number: 206-783-7
Nikkaji: J110.646E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Fluorotelomer based substances

Physicochemical properties

Melting point: 61 °C · 61°C
Boiling point: 95 · 95-96°C
Density: 1.521 · 1.521±0.06 g/cm3(Predicted)
refractive index: 1.32 · 1.32
BRN: 1367365 · 1367365
CAS DataBase Reference: 375 · 375-02-0(CAS DataBase Reference)
FDA UNII: 53 GJ29JN · RV53GJ29JN
EPA Substance Registry System: Perfluorobutyraldehyde (375-02-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (83.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.