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3,3,3-Trifluoropropionic acid

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Name

3,3,3-Trifluoropropionic acid

EINECS 629-437-0
CAS No. 2516-99-6 Density 1.437 g/cm3
PSA 37.30000 LogP 1.02340
Solubility N/A Melting Point 9.7 °C(lit.)
Formula C3H3F3O2 Boiling Point 128 °C at 760 mmHg
Molecular Weight 128.051 Flash Point 31.2 °C
Transport Information UN 3265 8/PG 2 Appearance Clear colorless liquid
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 2516-99-6 (3,3,3-Trifluoropropionic acid) Hazard Symbols CorrosiveC
Synonyms

Propionicacid, 3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoropropanoic acid;b,b,b-Trifluoropropionic acid;

Article Data 27

3,3,3-Trifluoropropionic acid Synthetic route

460-40-2

3,3,3-trifluoropropanal

2516-99-6

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With water; sodium hydroxide at 5 - 30℃; for 0.5h;88%
With hydrogen bromide80%
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
352-23-8

ethyl 3,3,3-trifluoropropanoate

2516-99-6

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

3,3,3-Trifluoropropionic acid Chemical Properties

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

3,3,3-Trifluoropropionic acid Safety Profile

Hazard Codes: C
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

3,3,3-Trifluoropropionic acid 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.

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