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Basic Information
CAS No.: 54962-75-3
Name: 3-Amino-5-bromobenzotrifluoride
Article Data: 2
Molecular Structure:
Molecular Structure of 54962-75-3 (3-Amino-5-bromobenzotrifluoride)
Formula: C7H5BrF3N
Molecular Weight: 240.023
Synonyms: 3-Bromo-5-trifluoromethyl benzenamine;3-Bromo-5-(trifluoromethyl)aniline;3-Bromo-5-trifluoromethylaniline;
EINECS: 259-412-6
Density: 1.697 g/cm3
Boiling Point: 231.2 °C at 760 mmHg
Flash Point: 93.6 °C
Appearance: 26-36
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.02000
LogP: 3.63130
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  • 3-Amino-5-bromobenzotrifluoride

  • Casno:

    54962-75-3

    3-Amino-5-bromobenzotrifluoride

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Chemistry

Empirical Formula: C7H5BrF3N
Molecular Weight: 240.0205
Nominal Mass: 239 Da
Average Mass: 240.0205 Da
Monoisotopic Mass: 238.955739 Da 
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: 93.6 °C
Enthalpy of Vaporization: 46.78 kJ/mol
Boiling Point: 231.2 °C at 760 mmHg
Vapour Pressure: 0.0633 mmHg at 25 °C
Structure of 3-Amino-5-bromobenzotrifluoride (CAS NO.54962-75-3):
                           
IUPAC Name: 3-Bromo-5-(trifluoromethyl)aniline
Canonical SMILES: C1=C(C=C(C=C1N)Br)C(F)(F)F
InChI: InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKey: HJTLKVYOWNTDPF-UHFFFAOYSA-N
Product Category of 3-Amino-5-bromobenzotrifluoride (CAS NO.54962-75-3): Amines;blocks;Bromides;Benzotrifluoride Series;C7;Nitrogen Compounds

Safety Profile

Hazard Codes of 3-Amino-5-bromobenzotrifluoride (CAS NO.54962-75-3): IrritantXi
Risk Statements: 36/37/38
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.
WGK Germany: 3
Hazard Note: Irritant

Specification

 3-Amino-5-bromobenzotrifluoride , its cas register number is 54962-75-3.