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| CAS No.: | 2516-99-6 |
|---|---|
| Name: | 3,3,3-Trifluoropropionic acid |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H3F3O2 |
| Molecular Weight: | 128.051 |
| Synonyms: | Propionicacid, 3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoropropanoic acid;b,b,b-Trifluoropropionic acid; |
| EINECS: | 629-437-0 |
| Density: | 1.437 g/cm3 |
| Melting Point: | 9.7 °C(lit.) |
| Boiling Point: | 128 °C at 760 mmHg |
| Flash Point: | 31.2 °C |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 1.02340 |
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| Conditions | Yield |
|---|---|
| With tetrabutoxytitanium; sodium molybdate; dihydrogen peroxide; calcium chloride In ethanol; water at 75 - 90℃; for 6h; Time; Inert atmosphere; | 96.1% |
| With nitric acid; sodium nitrite In water at 0 - 20℃; for 4h; | 61% |
| With sulfuric acid; sodium nitrite In water at 0 - 20℃; for 3h; | 61% |
- 85345-75-1
3,3,3-trifluoropropionyl fluoride
- 2516-99-6
3,3,3-Trifluoropropionic acid
| Conditions | Yield |
|---|---|
| With water at 5 - 20℃; for 0.5h; | 93.4% |
| With water; sodium hydroxide at 5 - 20℃; for 0.5h; | 90.2% |
- 18830-44-9
methyl 3,3,3-trifluoropropionate
- 2516-99-6
3,3,3-Trifluoropropionic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 5 - 30℃; for 0.5h; | 88% |
| With hydrogen bromide | 80% |
- 41463-83-6
3,3,3-trifluoropropanoyl chloride
- 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride
A
- 2516-99-6
3,3,3-Trifluoropropionic acid
B
- 110230-36-9
2-chloro-3,3,3-trifluoropropanoic acid
| Conditions | Yield |
|---|---|
| With water at 50℃; for 4h; Product distribution / selectivity; | A 84.5% B n/a |
- 460-40-2
3,3,3-trifluoropropanal
A
- 2516-99-6
3,3,3-Trifluoropropionic acid
B
- 936107-87-8
3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol
C
- 936107-88-9
C9H9F9O3
| Conditions | Yield |
|---|---|
| With water at -10 - 25℃; for 0.166667 - 168h; Product distribution / selectivity; | A 0.06% B 70.9% C 0.2% |
- 41463-83-6
3,3,3-trifluoropropanoyl chloride
- 2516-99-6
3,3,3-Trifluoropropionic acid
| Conditions | Yield |
|---|---|
| With water at 50℃; for 5h; Product distribution / selectivity; | 70.5% |
- 460-40-2
3,3,3-trifluoropropanal
A
- 41463-83-6
3,3,3-trifluoropropanoyl chloride
B
- 2516-99-6
3,3,3-Trifluoropropionic acid
C
- 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); chlorine In 2,4-dichloro-benzotrifluoride at 50℃; for 2.5h; Product distribution / selectivity; | A 62.5% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid; water at 90℃; for 20h; | 61% |
- 122372-40-1
2-(2,2,2-trifluoroethylidene)-1,3-dithiane
- 2516-99-6
3,3,3-Trifluoropropionic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; mercury(II) oxide In tetrahydrofuran for 26h; Heating; | 60% |
- 460-92-4
1-chloro-1,1,3,3,3-pentafluoropropane
- 64712-27-2
1,1-dichloro-1,3,3,3-tetrafluoropropane
- 2516-99-6
3,3,3-Trifluoropropionic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-1,1,3,3,3-pentafluoropropane; 1,1-dichloro-1,3,3,3-tetrafluoropropane With sulfuric acid; sulfur trioxide at 100 - 125℃; for 19 - 30h; Stage #2: With water at 20℃; Product distribution / selectivity; | 22% |
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Chemistry
IUPAC Name: 3,3,3-Trifluoropropanoate
CAS: 2516-99-6
Molecular Formula: C3H3F3O2
Molecular Weight: 128.05
Molecular structure:
Melting point: 9.7 °C(lit.)
BRN: 1751796
ACD/LogD (pH 5.5): -1.31
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Index of Refraction: 1.325
Molar Refractivity: 17.96 cm3
Molar Volume: 89 cm3
Polarizability: 7.12 10-24cm3
Surface Tension: 23.8 dyne/cm
Density: 1.437 g/cm3
Flash Point: 31.2 °C
Enthalpy of Vaporization: 40.36 kJ/mol
Boiling Point: 128 °C at 760 mmHg
Vapour Pressure: 6.63 mmHg at 25°C
Product Categories: Fluorochemicals; C1 to C5; Carbonyl Compounds; Carboxylic Acids
Safety Profile
Hazard Codes: C.gif){kind=small}
Risk Statements: 34 (34: Causes burns)
Safety Statements: 26-36/37/39-45 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
Specification
3,3,3-Trifluoropropionic acid , with CAS number of 2516-99-6, can be called 3,3,3-Trifluoropropionic acid 98% ; 3,3,3-Trifluoropropanoicacid ; Trifluoromethylacetic acid ; propanoic acid, 3,3,3-trifluoro- . It is usually colorless clear liquid. 3,3,3-Trifluoropropionic acid (CAS NO.2516-99-6) is commonly used as pharmaceutical intermediate.