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| CAS No.: | 2378-02-1 |
|---|---|
| Name: | PERFLUORO-TERT-BUTANOL |
| Molecular Structure: | |
|
|
|
| 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 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium fluoride In acetonitrile for 18h; -40 deg C to r.t.; | 77.1% |
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid; sodium nitrite In water at 20℃; for 1h; | 70% |
- 75-38-7
Vinylidene fluoride
- 178984-96-8
C4BrF9O
A
- 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
B
- 684-16-2
Hexafluoroacetone
| Conditions | Yield |
|---|---|
| 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; |
- 178984-96-8
C4BrF9O
A
- 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
B
- 684-16-2
Hexafluoroacetone
| Conditions | Yield |
|---|---|
| at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; |
- 1493-13-6
trifluorormethanesulfonic acid
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)
- 7732-18-5
water
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 | Yield |
|---|---|
| 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 
Xn,Xi,
T
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