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| CAS No.: | 349-03-1 |
|---|---|
| Name: | 4-Bromo-3-nitrobenzotrifluoride |
| Molecular Structure: | |
|
|
|
| Formula: | C7H3BrF3NO2 |
| Molecular Weight: | 270.006 |
| Synonyms: | Toluene,4-bromo-a,a,a-trifluoro-3-nitro-(8CI);1-Bromo-2-nitro-4-(trifluoromethyl)benzene;2-Bromo-1-nitro-5-(trifluoromethyl)benzene;2-Bromo-5-(trifluoromethyl)nitrobenzene; |
| EINECS: | -0 |
| Density: | 1.788 g/cm3 |
| Boiling Point: | 225.9 °C at 760 mmHg |
| Flash Point: | 90.4 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 45.82000 |
| LogP: | 3.89930 |
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Chemistry
IUPAC Name: 1-Bromo-2-nitro-4-(trifluoromethyl)benzene
Synonyms of 4-Bromo-3-nitrobenzotrifluoride (CAS NO.349-03-1): 1-Bomo-4-(trifluoromethyl)-2-nitrobenzene
CAS NO: 349-03-1
Molecular Formula: C7H3BrF3NO2
Molecular Weight: 270.00
Molecular Structure: 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 45.82 Å2
Index of Refraction: 1.514
Molar Refractivity: 45.46 cm3
Molar Volume: 150.9 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.788 g/cm3
Flash Point: 90.4 °C
Enthalpy of Vaporization: 44.36 kJ/mol
Boiling Point: 225.9 °C at 760 mmHg
Vapour Pressure: 0.126 mmHg at 25°C
Appearance: clear yellow liquid
Product Categories of 4-Bromo-3-nitrobenzotrifluoride (CAS NO.349-03-1): Trifluoromethylbenzene serise;Aromatic Halides (substituted);API intermediates;Miscellaneous;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Trifluoromethyl-benzene series
SMILES: O=[N+]([O-])c1cc(ccc1Br)C(F)(F)F
InChI: InChI=1/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey: PESPBNYBZVIGRO-UHFFFAOYAV
Std. InChI: InChI=1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
Std. InChIKey: PESPBNYBZVIGRO-UHFFFAOYSA-N
Safety Profile
Safety Information about 4-Bromo-3-nitrobenzotrifluoride (CAS NO.349-03-1):
Hazard Codes: 
Xn,Xi
Risk Statements: 36/37/38-20/21/22
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-26
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.
WGK Germany: 3
Hazard Note: Irritant