ChemicalBook--->CAS DataBase List--->2240-88-2

2240-88-2

2240-88-2 Structure

2240-88-2 Structure
IdentificationMore
[Name]

3,3,3-TRIFLUORO-1-PROPANOL
[CAS]

2240-88-2
[Synonyms]

3,3,3-TRIFLUORO-1-PROPANOL
3,3,3-TRIFLUOROPROPAN-1-OL
3,3,3-TRIFLUOROPROPANOL
3,3,3-TRIFLUOROPROPANOL-1
3,3,3-Trifluoropropan-1-ol 97%
3,3,3-Trifluoropropan-1-ol97%
[EINECS(EC#)]

670-540-5
[Molecular Formula]

C3H5F3O
[MDL Number]

MFCD00190649
[Molecular Weight]

114.07
[MOL File]

2240-88-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

100 °C
[density ]

1,294 g/cm3
[refractive index ]

1.32
[Fp ]

37°C
[storage temp. ]

Sealed in dry,2-8°C
[form ]

clear liquid
[pka]

14.09±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.294
[Water Solubility ]

Fully miscible in water.
[BRN ]

1734777
[InChI]

InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2
[InChIKey]

HDBGBTNNPRCVND-UHFFFAOYSA-N
[SMILES]

C(O)CC(F)(F)F
[CAS DataBase Reference]

2240-88-2(CAS DataBase Reference)
[EPA Substance Registry System]

3,3,3-Trifluoropropan-1-ol (2240-88-2)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P261-P303+P361+P353-P305+P351+P338-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
[Hazard Codes ]

F
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1987
[WGK Germany ]

WGK 3
[Hazard Note ]

Flammable
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29055900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

3,3,3-Trifluoro-1-propanol is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
[Synthesis]

2-Bromo-3,3,3-trifluoropropan-1-ol

311-86-4

3,3,3-TRIFLUORO-1-PROPANOL

2240-88-2

General procedure for the synthesis of 3,3,3-trifluoro-1-propanol from 2-bromo-3,3,3-trifluoropropan-1-ol: 54 g of 2-bromo-3,3,3-trifluoropropan-1-ol, 79 g of methanol, 9.7 g of activated Raney Ni catalyst and 19.3 g of potassium carbonate were added to a 300 mL autoclave. The reaction system was evacuated and displaced three times with hydrogen under stirring conditions. Subsequently, the hydrogen pressure was adjusted to 5 MPa and heated to 80°C. The reaction lasted for 3.0 hours. Upon completion of the reaction, the heating was stopped, the reaction mixture was cooled and the pressure was released. Finally, the target product 3,3,3-trifluoro-1-propanol was obtained by distillation purification in 95.0% yield.

[References]

[1] Patent: CN105399607, 2016, A. Location in patent: Paragraph 0022; 0023
Spectrum DetailBack Directory
[Spectrum Detail]

3,3,3-TRIFLUORO-1-PROPANOL(2240-88-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,3,3-Trifluoro-1-propanol, 97%(2240-88-2)
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