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3,3,4,4,5,5,5-Heptafluoropent-1-ene

HCID 67727
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Basic information

CAS
355-08-8
Standard SMILES
C=CC(F)(F)C(F)(F)C(F)(F)F
InChIKey
LQAPOTKKMIZDGP-UHFFFAOYSA-N
Molecular formula
C5H3F7
Average molar mass
196.07 g/mol
Monoisotopic mass
196.01229723

Names & identifiers

Preferred name
3,3,4,4,5,5,5-Heptafluoropent-1-ene
IUPAC
3,3,4,4,5,5,5-heptafluoropent-1-ene
English name
1H,1H,2H-HEPTAFLUOROPENT-1-ENE
Molecular formula
C5H3F7
Molecular weight
196.07

Names & synonyms

3,3,4,4,5,5,5-Heptafluoropent-1-ene1H,1H,2H-Heptafluoropent-1-ene355-08-871164-40-43,3,4,4,5,5,5-Heptafluoro-1-pentene1-Pentene, heptafluoro-(9CI)Heptafluoropentene-1EINECS 206-576-1SCHEMBL191482SCHEMBL244076SCHEMBL18553641h,1h,2h-perfluoropent-1-ene
Show more names
1-HeptafluoropenteneHEPTAFLUOROPENT-1-ENE1H,1H,2H-HEPTAFLUOROPENTENE-11H,1H,2H-HEPTAFLUOROPENT-1-ENE 97%3,3,4,4,5,5,5-5GHEPTAFLUOROPENTENE-1
DTXSID40895154MFCD00039253SBB091947AKOS0062306013,3,4,4,5,5,5-Heptafluoropentene-1DB-055498NS00041687EN300-1929771

Database identifiers

CAS
355-08-8、71164-40-4
PubChem CID
67727
DTXSID
DTXSID40895154
EC Number
206-576-1、671-354-7
Nikkaji
J193.838J

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
177

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

Boiling point
30 °C · 30 °C
Density
1 · 1,339 g/cm3
Flash point
100 °C · 100°C
Symbol(GHS)
7 · GHS07,GHS02
Signal word
Danger
Hazard statements
319 · H319-H335-H315-H225
Precautionary statements
210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
F
Safety Statements
3 · 3/7-9-23
HazardClass
FLAMMABLE

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesFlam. Liq. 2 (97.4%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS02
hazard_code
F
safety_code
3/7-9-23
hazard_class
FLAMMABLE
Hazard statements
H319-H335-H315-H225
Precautionary statements
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

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

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Compound notes

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