2,2,3,3,3-Pentafluoropropanol

HCID 9872CAS 422-05-9
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC(F)(F)C(F)(F)F
InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N
Molecular formula
C3H3F5O
Average molar mass
150.05 g/mol
Monoisotopic mass
150.01040582

Names & identifiers

Preferred name
2,2,3,3,3-Pentafluoropropanol
IUPAC
2,2,3,3,3-pentafluoropropan-1-ol
English name
Pentafluoro-1-propanol
Molecular formula
C3H3F5O
Molecular weight
150.05

Names & synonyms

2,2,3,3,3-Pentafluoro-1-propanol422-05-92,2,3,3,3-PENTAFLUOROPROPANOL1,1-Dihydroperfluoropropanol1-Propanol, 2,2,3,3,3-pentafluoro-EPJ1S961SNNSC-66413RefChem:440568207-012-72,2,3,3,3-pentafluoropropan-1-olPentafluoro-1-propanol1H,1H-Pentafluoropropanol
Show more names
PFPOHPENTAFLUOROPROPANOL1,1H-perfluoropropanolPentafluoropropylalcohol
C3H3F5OC2F5CH2OHMFCD00004673NSC 664131H,1H-PENTAFLUOROPROPAN-1-OL1H,1H-perfluoropropanol2:1 Fluorotelomer alcohol1H,1H-Pentafluoro-1-propanol

Database identifiers

CAS
422-05-9、70983-62-9
PubChem CID
9872
DTXSID
DTXSID4059966
ChEMBL
CHEMBL4457653
UNII
EPJ1S961SN
EC Number
207-012-7
Nikkaji
J43.131A

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical Classes · 3 items

Other Classes -> Halogenated Alcohols

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 4 items

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point
80 °C748 · 80 °C748 mm Hg(lit.)
Density
1.505 g/mL · 1.505 g/mL at 25 °C(lit.)
vapor pressure
62.055 · 62.055-324.857hPa at 24.93-54.78℃
refractive index
20 · n20/D 1.288(lit.)
Flash point
80 · 80-81°C
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Propanol, 2,2,3,3,3-pentafluoro-

Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22960

Hazards SummaryCauses general anesthesia, gastrointestinal changes, and lung changes in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 10,0000 mg/m3

Safety data

wgk
3
tsca
TSCA listed
rtecs
UB8800000
ridadr
1987
hs_code
29055900
Toxicity
LDLo orl-rat: 2250 mg/kg JOCMA7 4,262,62

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information1-Propanol, 2,2,3,3,3-pentafluoro-: ACTIVE
Applications · 3 items

Uses2,2,3,3,3-Pentafluoro-1-Propanol is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides.

Uses2,2,3,3,3-Pentafluoro-1-propanol has been used:as derivatization reagent in detection of unlabeled and 15N2 -labeled L-tryptophan, L-kynurenine, serotonin and quinolinic acid in human and rat plasma by GC-MSas derivatization reagent in simultaneous analysis of cocaine, cocaethylene and their possible metabolic and pyrolytic products in blood, urine and muscle by GC-MSpreparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-unsaturated amidesto generate fluorinated α-keto ethers with alkenes and has wide applications in the expanding fluorous research area

General Description2,2,3,3,3-Pentafluoro-1-propanol is an alternative cleaning agent for chlorofluorocarbon.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

86 records
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Linked notes

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