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| CAS No.: | 80172-04-9 |
|---|---|
| Name: | 3,4,5-TRIFLUOROBENZOTRIFLUORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C7H2 F6 |
| Molecular Weight: | 200.083 |
| Synonyms: | 1,2,3-Trifluoro-5-(trifluoromethyl)benzene;3,4,5-Trifluorobenzotrifluoride; a,a,a,3,4,5-Hexafluorotoluene |
| Density: | 1.475g/cm3 |
| Melting Point: | 97-98?°C(lit.) |
| Boiling Point: | 98.1°C at 760 mmHg |
| Flash Point: | 17.3°C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| PSA: | 0.00000 |
| LogP: | 3.12270 |
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- Total:33 Page 1 of 1 1
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Chemistry
Molecular structure of 3,4,5-Trifluorobenzotrifluoride (CAS NO.80172-04-9) is:
Product Name: 3,4,5-Trifluorobenzotrifluoride
CAS Registry Number: 80172-04-9
IUPAC Name: 1,2,3-Trifluoro-5-(trifluoromethyl)benzene
Molecular Weight: 200.081199 [g/mol]
Molecular Formula: C7H2F6
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 6
Index of Refraction: 1.377
Molar Refractivity: 31.21 cm3
Molar Volume: 135.5 cm3
Surface Tension: 19.7 dyne/cm
Density: 1.475 g/cm3
Flash Point: 17.3 °C
Enthalpy of Vaporization: 32.35 kJ/mol
Boiling Point: 98.1 °C at 760 mmHg
Vapour Pressure: 46.6 mmHg at 25 °C
Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C(F)(F)F
InChI: InChI=1S/C7H2F6/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey: WIMUDCCCIFLMQO-UHFFFAOYSA-N
Safety Profile
Safty information about 3,4,5-Trifluorobenzotrifluoride (CAS NO.80172-04-9) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
3,4,5-Trifluorobenzotrifluoride , its cas register number is 80172-04-9. It also can be called 1,2,3-trifluoro-5-(trifluoromethyl)benzene ; Benzene,1,2,3-trifluoro-5-(trifluoromethyl)- .