Grundinformationen
- Standard-SMILES
OC(C(F)(F)F)C(F)(F)F- InChIKey
BYEAHWXPCBROCE-UHFFFAOYSA-N- Summenformel
- C3H2F6O
- Durchschnittliche Molmasse
- 168,04 g/mol
- Monoisotopische Masse
- 168,000984
Überblick
1,1,1,3,3,3-hexafluoro-2-propanol is a clear colorless oily liquid with an aromatic odor. (NTP, 1992) Combustible, may cause burns to skin, eyes and mucous membranes.
Namen und Bezeichner
- Bevorzugter Name
- 1,1,1,3,3,3-Hexafluoro-2-propanol
- IUPAC
- 1,1,1,3,3,3-hexafluoropropan-2-ol
- Lokaler Name
- 1,1,1,3,3,3-Hexafluorpropan-2-ol
- Englischer Name
- 1,1,1,3,3,3-Hexafluoro-2-propanol
- Summenformel
- C3H2F6O
- Molmasse
- 168.04
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
920-66-1- PubChem CID
- 13529
- DTXSID
DTXSID1022134- ChEMBL
CHEMBL1231750- ChEBI
CHEBI:63104- UNII
- 3D632GYQ50
- EC Number
- 213-059-4
- Nikkaji
- J50.987F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 97,1
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Ionic Liquids
Ionic Liquids -> Fluorinated Ionic Liquids
PFAS
PFAS
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Identified in migrating and extractable food contact chemical data
Density
1.596 at 68 °F (NTP, 1992) - Denser than water; will sink
1.46 @25 °C
Flash Point
greater than 200 °F (NTP, 1992)
Flash point > 93 °C
Boiling Point
138 °F at 760 mmHg (NTP, 1992)
59 °C @760 [mm Hg]
Vapor Pressure
158 mmHg at 72 °F ; 556 mmHg at 124 °F; 1468 mmHg at 167 °F (NTP, 1992)
159.0 [mmHg]
Physical Description
1,1,1,3,3,3-hexafluoro-2-propanol is a clear colorless oily liquid with an aromatic odor. (NTP, 1992) Combustible, may cause burns to skin, eyes and mucous membranes.
Liquid; Gas Vapor
Colorless to light colored liquid; [CAMEO] Melting point = -4 deg C; Miscible in water; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 4 °C · −4 °C(lit.)
- Siedepunkt
- 59 °C · 59 °C(lit.)
- Dichte
- 1.596 g/mL · 1.596 g/mL at 25 °C(lit.)
- Dampfdruck
- 269 hPa · 269 hPa (30 °C)
- Brechungsindex
- 20 · n20/D 1.275(lit.)
- Flammpunkt
- 4 · 4,4°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- soluble in Chloroform, Ethyl Acetate
- pka
- 1 · pK1:9.42 (25°C)
- Aggregatzustand
- Solid
- Wichte
- 1.596 · 1.596
- Farbe
- White to yellow
- PH
- 3 · 3-4 (H2O)Aqueous solution
- Wasserlöslichkeit
- 1000 g/L · 1000 g/L (25 ºC)
- BRN
- 1841007 · 1841007
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
- Stabilität
- Stable. Incompatible with strong acids, strong bases, alkali metals.
- InChI
- 1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
- InChIKey
- BYEAHWXPCBROCE-UHFFFAOYSA-N
- SMILES
- OC(C(F)(F)F)C(F)(F)F
- LogP
- 1.5 at · 1.5 at 25℃
- Oberflächenspannung
- 67.1 mN/m · 67.1mN/m at 1g/L and 19.8℃
- CAS Datenbank
- 920 · 920-66-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Propanol, 1,1,1,3,3,3-hexafluoro-(920-66-1)
- EPA chemische Informationen
- 1 · 1,1,1,3,3,3-Hexafluoro-2-propanol (920-66-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 30 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propanol, 1,1,1,3,3,3-hexafluoro-
2-Propanol, 1,1,1,3,3,3-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,1,1,3,3,3-hexafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 05-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21690
1,1,1,3,3,3-Hexafluoro-2-propanol: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include a burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, vomiting, abdominal pain; skin irritation, dermatitis, blistering and ulceration of the skin; gangrene, erythema; conjunctivitis, eye injury; dizziness, vertigo, light-headedness; lowered body temperature; cyanosis; respiratory distress; convulsions; collapse; coma; and liver and kidney damage. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
1.3 [ppm]
15 [ppm]
87 [ppm]
Toxikologische Informationen
Sicherheitsdaten
- F
- 27
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29055910
- RTECS-Nr.
- UB6450000
- risk_code
- 20/22-34
- Toxizität
- LD50 orally in Rabbit: 1500 mg/kg
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Repr. 2Skin Corr. 1ASTOT RE 2
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
2-Propanol, 1,1,1,3,3,3-hexafluoro-: ACTIVE
Anwendungen
Verwenden1,1,1,3,3,3-Hexafluoro-2-propanol effects the native state of proteins, denaturing them as well as stabilizing the α-helical conformation of unfolded proteins and polypeptides.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.
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