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1-Propanol, 2,2,3,3,3-pentafluoro-1-methoxy-

HCID 108404
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
59872-84-3
Standard SMILES
COC(O)C(F)(F)C(F)(F)F
InChIKey
FHGKXFQZUUSHPB-UHFFFAOYSA-N
Molecular formula
C4H5F5O2
Average molar mass
180.07 g/mol
Monoisotopic mass
180.0209705

Names & identifiers

Preferred name
1-Propanol, 2,2,3,3,3-pentafluoro-1-methoxy-
IUPAC
2,2,3,3,3-pentafluoro-1-methoxypropan-1-ol
English name
PENTAFLUOROPROPIONALDEHYDE METHYL HEMIACETAL
Molecular formula
C4H5F5O2
Molecular weight
180.07

Names & synonyms

EINECS 261-970-01-Propanol, 2,2,3,3,3-pentafluoro-1-methoxy-RefChem:436210Pentafluoropropionaldehyde methyl hemiacetal59872-84-32,2,3,3,3-pentafluoro-1-methoxypropan-1-olMFCD00039254Pentafluoropropanal methyl hemiacetal2,2,3,3,3-Pentafluoro-1-methoxypropanol2,2,3,3,3-pentafluoro-1-methoxy-1-propanolSCHEMBL8611794DTXSID70886373
Show more names
1-METHOXY-1H-PENTAFLUOROPROPANOL2,2,3,3,3-pentafluoro-1-methoxy-1-propanoPENTAFLUOROPROPIONALDEHYDE METHYL HEMIACETAL 97%
SBB089603AKOS006229225MS-20801DB-053480NS000564472,2,3,3,3-pentafluoro-1-methoxy-propan-1-ol1-Methoxy-1H-perfluoropropan-1-ol; 2,2,3,3,3-Pentafluoro-1-methoxypropan-1-ol

Database identifiers

CAS
59872-84-3
PubChem CID
108404
DTXSID
DTXSID70886373
EC Number
261-970-0
Nikkaji
J298.736H

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
131

Physicochemical properties

EPA Substance Registry System
1 · 1-Propanol, 2,2,3,3,3-pentafluoro-1-methoxy- (59872-84-3)
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
Hazard Note
Irritant
TSCA
TSCA listed
HS Code
2924190090 · 2924190090

Safety & regulation

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

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Safety data

tsca
TSCA listed
hs_code
2924190090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36
Hazard statements
H315-H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanol, 2,2,3,3,3-pentafluoro-1-methoxy-: INACTIVE

Related reactions

5 records
New reaction record
HRID 1009249 reaction equation
HRID 1009249As reactantuspto-grants-2011_07
HRID 1620912 reaction equation
HRID 1620912As reactantuspto-grants-2014_07
HRID 1775346 reaction equation
HRID 1775346As reactantuspto-grants-2016_02
HRID 1880503 reaction equation
HRID 1880503As reactantuspto-grants-2012_11
HRID 2223516 reaction equation
HRID 2223516As reactantuspto-grants-2008_05

Compound notes

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