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2378-02-1

Basic Information
CAS No.: 2378-02-1
Name: PERFLUORO-TERT-BUTANOL
Article Data: 26
Molecular Structure:
Molecular Structure of 2378-02-1 (PERFLUORO-TERT-BUTANOL)
Formula: C4H F9 O
Molecular Weight: 236.037
Synonyms: 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol;2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethanol; 2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoro-2-propanol;Nonafluoro-tert-butanol; Nonafluoro-tert-butyl alcohol; Perfluoro tert-butylalcohol; Perfluoro(2-methyl-2-propanol); Perfluoro-tert-butanol;Perfluoro-tert-butyl alcohol; TBOL; Tris(trifluoromethyl)methanol
Density: 1.67g/cm3
Melting Point: -17°C
Boiling Point: 45 °C(lit.)
Flash Point: 5.1°C
Appearance: clear colorless liquid
Hazard Symbols: Xn,Xi,T
Risk Codes: 20-36/37/38-23
Safety: Low toxicity by inhalation. When heated to decomposition it emits toxic vapors of F.
PSA: 20.23000
LogP: 2.40440
Synthetic route
7440-69-9

bismuth

27579-40-4

tris-(trifluoromethyl)methyl hypochlorite

A

88392-03-4

Bi(3+)*3(CF3)3CO(1-) = Bi{(CF3)3CO}3

B

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
byproducts: (CF3)2CO, CF3Cl, Cl2; reaction mixt. maintained at 0°C for 40 h and at room temp. for 94 h and between 25 and 30°C for 6 h; addn. of additional (CF3)3COCl; volatiles removed at room temp. under vac.; elem. anal.;A 93%
B n/a
81290-20-2

(trifluoromethyl)trimethylsilane

684-16-2

Hexafluoroacetone

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
With potassium fluoride In acetonitrile Mechanism; a) 9 h, -40 deg C, b) 3 h, 18 deg C; other carbonyl compounds, variation of conditions: xfluorinated tertiary alcohols and alkoxides from nucleophilic trifluoromethylation of carbonyl compounds;91.3%
With potassium fluoride In acetonitrile 1) -40 deg C, 9 h, 2) 18 deg C, 3 h;91.3%
81290-20-2

(trifluoromethyl)trimethylsilane

407-25-0

trifluoroacetic anhydride

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
With tetramethylammonium fluoride In 1,2-dimethoxyethane at -30 - 20℃;87%
7594-49-2

1,1,1-trichloro-3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
With antimony pentafluoride for 3h; Heating;85%
With antimony pentafluoride
353-50-4

Carbonyl fluoride

81290-20-2

(trifluoromethyl)trimethylsilane

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
With potassium fluoride In acetonitrile for 18h; -40 deg C to r.t.;77.1%
2809-92-9

nanofluoro-tert-butylamine

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions
ConditionsYield
With trifluoroacetic acid; sodium nitrite In water at 20℃; for 1h;70%
75-38-7

Vinylidene fluoride

A

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B

684-16-2

Hexafluoroacetone

C

2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D

2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions
ConditionsYield
at -88 - 24℃; for 12h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;A n/a
B n/a
C 31%
D n/a
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

A

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B

684-16-2

Hexafluoroacetone

C

2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D

2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions
ConditionsYield
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

CH3C6H3CH2OS(OC(CF3)3)2

1493-13-6

trifluorormethanesulfonic acid

A

CH3C6H3CH2OSCO(CF3)3(1+)*CF3SO3(1-)

B

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

71212-59-4

bis(nonafluoro-tert-butoxy)(pentafluorophenylsulfanyl)trifluorophenylsulfur(IV)

A

2378-02-1

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B

1494-06-0

bis(pentafluorophenyl) disulfide

C

63113-87-1

pentafluorophenyl pentafluorobenzenethiosulfonate

Conditions
ConditionsYield
hydrolysis at 25°C;
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Chemistry

IUPAC Name: 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-ol
The MF of Perfluoro-tert-butanol (CAS NO.2378-02-1) is C4HF9O.

                               
The MW of Perfluoro-tert-butanol (CAS NO.2378-02-1) is 236.04.
Synonyms of Perfluoro-tert-butanol (CAS NO.2378-02-1): 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)- ; Nonafluoro-tert-butanol ; Perfluoro-tert-butanol
Apperance: clear colorless liquid
Index of Refraction: 1.263 
EINECS: 219-157-3
Density: 1.67 g/ml 
Flash Point: 5.1 °C
Boiling Point: 84.7 °C
Melting Point: -17 °C
Storage temp: Keep Cold
BRN: 1841640

Uses

  Perfluoro-tert-butanol (CAS NO.2378-02-1) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10230mg/m3/2H (10230mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 521, 1986.

Safety Profile

Low toxicity by inhalation. When heated to decomposition it emits toxic vapors of F.Safety information of Perfluoro-tert-butanol (CAS NO.2378-02-1):
Hazard Codes  HarmfulXn,Xi,ToxicT
Risk Statements 
20 Harmful by inhalation
36/37/38 Irritating to eyes, respiratory system and skin
23 Toxic by inhalation
Safety Statements 
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37 Wear suitable protective clothing and gloves
RIDADR  UN 2810 6.1/PG 2
WGK Germany  3
RTECS  UB6452700
Hazard Note  Toxic