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Cas Database |
| Name |
5-Amino-2-bromobenzotrifluoride |
EINECS | 206-885-1 |
| CAS No. | 393-36-2 | Density | 1.697 g/cm3 |
| PSA | 26.02000 | LogP | 3.63130 |
| Solubility | N/A | Melting Point |
47-49 °C(lit.) |
| Formula | C7H5BrF3N | Boiling Point | 272.4 °C at 760 mmHg |
| Molecular Weight | 240.023 | Flash Point | 91.7 °C |
| Transport Information | UN 2811 | Appearance | White to off-white crystalline |
| Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
4-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine;4-bromo-3-(trifluoromethyl)aniline;4-Bromo-3-(trifluoromethyl)benzenamine;2-bromo-5-aminobenzotrifluoride;4-Bromo-3-(trifluoromethyl) aniline;3-Trifluoromethyl-4-bromoaniline;4-bromo-3-trifluoromethylaniline;4-Bromo-3(Trifluoromethyl)aniline;4-bromo-α,α,α-trifluoro-m-toluidine;2-Bromo-5-Amino Benzotrifluoride; |
Article Data | 10 |
5-Amino-2-bromobenzotrifluoride Chemical Properties
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IUPAC Name: 4-Bromo-3-(trifluoromethyl)aniline
Canonical SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Br
InChI: InChI=1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey: YGNISOAUPSJDJE-UHFFFAOYSA-N
Molecular Weight: 240.02051 [g/mol]
Molecular Formula: C7H5BrF3N
XLogP3-AA: 2.8
H-Bond Donor 1
H-Bond Acceptor: 4
EINECS: 206-885-1
Product Categories: Trifluoromethylbenzene serise; Amines; blocks; Bromides; Aniline; Miscellaneous; Benzotrifluoride Series; C7; Nitrogen Compounds; Aniline series
Index of Refraction: 1.522
Molar Refractivity: 43.15 cm3
Molar Volume: 141.4 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.697 g/cm3
Flash Point: 91.7 °C
Enthalpy of Vaporization: 51.07 kJ/mol
Boiling Point: 272.4 °C at 760 mmHg
Vapour Pressure: 0.00608 mmHg at 25 °C
Appearance: White to off-white crystalline
Melting Point of 5-Amino-2-bromobenzotrifluoride (CAS NO.393-36-2): 47-49 °C(lit.)
5-Amino-2-bromobenzotrifluoride Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38
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: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
5-Amino-2-bromobenzotrifluoride Specification
5-Amino-2-bromobenzotrifluoride (CAS NO.393-36-2), its Synonyms are 4-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine ; Benzenamine, 4-bromo-3-(trifluoromethyl)- ; 4-Bromo-3-(trifluoromethyl)aniline .
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