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4-Oxa-6,6,7,7-tetrafluoroheptane-1,2-diol

HCID 45933744
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
25385-68-6
Standard SMILES
OCC(O)COCC(F)(F)C(F)F
InChIKey
LCNPYINHENVWOH-UHFFFAOYSA-N
Molecular formula
C6H10F4O3
Average molar mass
206.14 g/mol
Monoisotopic mass
206.05660683

Names & identifiers

Preferred name
4-Oxa-6,6,7,7-tetrafluoroheptane-1,2-diol
IUPAC
3-(2,2,3,3-tetrafluoropropoxy)propane-1,2-diol
English name
3-(2,2,3,3-Tetrafluoropropoxy)propane-1,2-diol
Molecular formula
C6H10F4O3
Molecular weight
206.14

Names & synonyms

4-Oxa-6,6,7,7-tetrafluoroheptane-1,2-diolRefChem:526084641-175-925385-68-63-(2,2,3,3-tetrafluoropropoxy)propane-1,2-diol6,6,7,7-tetrafluoro-4-oxaheptane-1,2-diolMFCD13176607SCHEMBL21633295C6H10F4O3DTXSID20672905LCNPYINHENVWOH-UHFFFAOYSA-NSBB093597
Show more names
1,2-Propanediol, 3-(2,2,3,3-tetrafluoropropoxy)-
NS00018874

Database identifiers

CAS
25385-68-6
PubChem CID
45933744
DTXSID
DTXSID20672905
EC Number
641-175-9
Nikkaji
J887.703C

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
142

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physicochemical properties

EPA Substance Registry System
3 · 3-(2,2,3,3-Tetrafluoropropoxy)propane-1,2-diol (25385-68-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H319-H315
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code
2909199090 · 2909199090

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

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2909199090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H319-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers3 total

A.J Chemicals[email protected]
SYNQUEST[email protected]
APOLLO-NMR[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes