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76-37-9

Basic Information
CAS No.: 76-37-9
Name: Tetrafluoro-1-propanol
Article Data: 18
Molecular Structure:
Molecular Structure of 76-37-9 (Tetrafluoro-1-propanol)
Formula: C3H4F4O
Molecular Weight: 132.058
Synonyms: 1,1,3-Trihydroperfluoro-1-propanol;2,2,3,3-Tetrafluoropropyl alcohol;2,2,3,3-tetrafluoro-porpanol;1-Propanol, 2,2,3,3-tetrafluoro-;2,2,3,3-Tetrafluoropropanol-1;1,1, 3-Trihydroperfluoro-1-propanol;Tetrafluoropropyl alcohol;4-01-00-01438 (Beilstein Handbook Reference);2,2,3,3-Tetrafluoropropan-1-ol;2, 2,3,3-Tetrafluoropropyl alcohol;2,2,3,3-Tetrafluoro-1-propanol (TFP);1H,1H,3H-Tetrafluoro-1-propanol;2,2,3,3-tetrafluoro-1-propanol;;Tetrafluoropropanol;Trans-4-ethyl Hexahydrobenzoic Acid;2,2,3,3-Tetrafluoro-Propanol;2,2,3,3-Tetrafluoro-1-Propanol(Tfp);
EINECS: 200-955-5
Density: 1.35 g/cm3
Melting Point: -15 °C
Boiling Point: 109.5 °C at 760 mmHg
Flash Point: 31 °C
Solubility: Soluble in water.
Appearance: colourless liquid
Hazard Symbols: HarmfulXn, FlammableF, IrritantXi
Risk Codes: 10-20-36-36/37/38
Safety: 26-37/39-16-36/37-36
Transport Information: UN 1986 3/PG 3
PSA: 20.23000
LogP: 0.87910
Synthetic route
65611-25-8

phosphonic acid bis-(2,2,3,3-tetrafluoro-propyl) ester

121-44-8

triethylamine

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

triethylammonium hydrogen 1H,1H,3H-tetrafluoropropyl phosphite

Conditions
ConditionsYield
With water for 1h; Ambient temperature;A 96.4%
B 88.6%

3,5-Bis-(1,1,2,2-tetrafluoro-ethyl)-2,2,2-tris-(2,2,3,3-tetrafluoro-propoxy)-2λ5-[1,4,2]dioxaphospholane

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

756-04-7

2,2,3,3-tetrafluoropropionaldehyde

C

(2,2,3,3-Tetrafluoro-1-hydroxy-propyl)-phosphonic acid bis-(2,2,3,3-tetrafluoro-propyl) ester

Conditions
ConditionsYield
With water In acetone at 20℃; for 20h;A n/a
B n/a
C 95%
302-17-0

chloral hydrate

87651-42-1

di(1,1,3-trihydrotetrafluoropropyl)phenyl phosphonite

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

1235818-80-0

(1,1,3-trihydrotetrafluoropropyl) (1-hydroxy-2,2,2-trichloroethyl)phenylphosphinate

Conditions
ConditionsYield
In benzene at 30 - 40℃; for 12h; Abramov reaction; Inert atmosphere;A n/a
B 95%
2648-47-7

2,2,3,3,4,4,5,5-octafluorovaleraldehyde

2241-68-1

tris(2,2,3,3-tetrafluoropropyl)phosphite

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

bis(2,2,3,3-tetrafluoropropyl) (1H,5H-octafluoro-1-hydroxypentyl)phosphonate

Conditions
ConditionsYield
In benzene at 20 - 25℃; for 2h;A n/a
B 92%
71879-02-2

pentakis(2,2,3,3-tetrafluoropropoxy)phosphorane

106-54-7

p-Chlorothiophenol

A

563-10-0

phosphoric acid tris-(2,2,3,3-tetrafluoro-propyl ester)

B

76-37-9

2,2,3,3-tetrafluoropropanol

C

1-Chloro-4-(2,2,3,3-tetrafluoro-propylsulfanyl)-benzene

Conditions
ConditionsYield
at 150℃; for 4h;A n/a
B n/a
C 72%
302-17-0

chloral hydrate

C7H9F8O2P

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

111257-11-5

O-(1,1,3-trihydrotetrafluoropropyl)-(1-hydroxy-2,2,2-trichloroethyl)methylphosphinate

C

(1-hydroxy-2,2,2-trichloroethyl)methylphosphinic acid

Conditions
ConditionsYield
In benzene for 12h; Heating;A n/a
B 70%
C n/a
71879-02-2

pentakis(2,2,3,3-tetrafluoropropoxy)phosphorane

106-53-6

para-bromobenzenethiol

A

563-10-0

phosphoric acid tris-(2,2,3,3-tetrafluoro-propyl ester)

B

76-37-9

2,2,3,3-tetrafluoropropanol

C

1-Bromo-4-(2,2,3,3-tetrafluoro-propylsulfanyl)-benzene

Conditions
ConditionsYield
at 150℃; for 4h;A n/a
B n/a
C 70%
71879-02-2

pentakis(2,2,3,3-tetrafluoropropoxy)phosphorane

108-98-5

thiophenol

A

563-10-0

phosphoric acid tris-(2,2,3,3-tetrafluoro-propyl ester)

B

76-37-9

2,2,3,3-tetrafluoropropanol

C

2,2,3,3-tetrafluoropropylphenyl sulfide

Conditions
ConditionsYield
at 150℃; for 4h;A n/a
B n/a
C 63.5%
71879-02-2

pentakis(2,2,3,3-tetrafluoropropoxy)phosphorane

106-45-6

para-thiocresol

A

563-10-0

phosphoric acid tris-(2,2,3,3-tetrafluoro-propyl ester)

B

76-37-9

2,2,3,3-tetrafluoropropanol

C

1-Methyl-4-(2,2,3,3-tetrafluoro-propylsulfanyl)-benzene

Conditions
ConditionsYield
at 150℃; for 4h;A n/a
B n/a
C 60%

2,2,2-Tris-(2,2,3,3-tetrafluoro-propoxy)-3,5-bis-trifluoromethyl-2λ5-[1,4,2]dioxaphospholane

A

76-37-9

2,2,3,3-tetrafluoropropanol

B

75-90-1

2,2,2-Trifluoroacetaldehyde

C

88332-81-4

(2,2,2-Trifluoro-1-hydroxy-ethyl)-phosphonic acid bis-(2,2,3,3-tetrafluoro-propyl) ester

Conditions
ConditionsYield
With water In acetone at 20℃; for 20h;A n/a
B n/a
C 56%
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,2,3,3-Tetrafluoro-1-propanol, with the cas registry number 76-37-9, has the systematic name of 2,2,3,3-tetrafluoropropan-1-ol. This is a kind of stable chemical, and it is incompatible with strong oxidizing agents, strong bases, sodium, potassium, acid chlorides, acid anhydrides. Its product categories are various, including industrial/fine chemicals; small molecule; organic fluorides; alcohols; c2 to c6; oxygen compounds.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 1; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 20.23; (5)Index of Refraction: 1.296; (6)Molar Refractivity: 18.06 cm3; (7)Molar Volume: 97.7 cm3; (8)Polarizability: 7.16 ×10-24 cm3; (9)Surface Tension: 17 dyne/cm; (10)Density: 1.35 g/cm3; (11)Flash Point: 31 °C; (12)Enthalpy of Vaporization: 40.59 kJ/mol; (13)Boiling Point: 109.5 °C at 760 mmHg; (14)Vapour Pressure: 13.1 mmHg at 25°C; (15)Exact Mass: 132.019828; (16)MonoIsotopic Mass: 132.019828; (17)Topological Polar Surface Area: 20.2; (18)Heavy Atom Count: 8; (19)Complexity: 71.7.

Use of 2,2,3,3-Tetrafluoro-1-propanol is as below:  2,2,3,3-Tetrafluoro-1-propanol could react to produce 3-chloro-1,1,2,2-tetrafluoro-propane, with the following condition: reagent: (2-chloro-1,1,2-trifluoro-ethyl)-diethyl-amin; reaction temp.: 170 ℃.

As to its usage, it is widely applied in many ways. It is usually used in pharmaceutics, intermediate for pesticide, light disk paint solvent, and cleaning agent.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, it is irritant. This chemical is irritating to eyes, respiratory system and skin. For another thing, it is harmful, and may cause damage to health. In addition, it is highly flammable. It may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should take the following instructions. Wear suitable clothing, gloves and eye/face protection, and keep away from sources of ignition - No smoking. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, the following data information could be converted into the molecular structure:
(1)SMILES:FC(F)C(F)(F)CO
(2)InChI:InChI=1/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
(3)InChIKey:NBUKAOOFKZFCGD-UHFFFAOYAL

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 8600mg/m3/2H (8600mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 109, 1982.
rat LCLo inhalation 2000ppm/4H (2000ppm) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Occupational Medicine. Vol. 4, Pg. 262, 1962.
rat LDLo oral 3400mg/kg (3400mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Journal of Occupational Medicine. Vol. 4, Pg. 262, 1962