Basic information
- Name:
2-Bromo-5-fluoroaniline
- CAS No.:
1003-99-2
- Molecular Structure:
- Formula:
- C6H5BrFN
- Molecular Weight:
- 190.01
- Synonyms:
- 2-Bromo-5-fluoro-phenylamine;2-bromo-5-fluoro-aniline;2-Bromo-fluoroaniline;2-bromo-5-fluorobenzenamine;2-fluoro-5-bromoaniline;
- Density:
- 1.694 g/cm3
- Melting Point:
- 43-47 °C(lit.)
- Boiling Point:
- 228.2 °C at 760 mmHg
- Flash Point:
- 91.8 °C
- Appearance:
- yellow to brown crystalline powder
- Hazard Symbols:
Xi,
T- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
- Transport Information:
- UN 2811
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Chemistry
The molecular structure of 2-Bromo-5-fluoroaniline (CAS NO.1003-99-2):
IUPAC Name: 2-Bromo-5-fluoroaniline
Molecular Weight: 190.013003 g/mol
Molecular Formula: C6H5BrFN
Density: 1.694 g/cm3
Melting Point: 43-47 °C(lit.)
Boiling Point: 228.2 °C at 760 mmHg
Flash Point: 91.8 °C
Index of Refraction: 1.596
Molar Refractivity: 38.17 cm3
Molar Volume: 112.1 cm3
Surface Tension: 45.2 dyne/cm
Enthalpy of Vaporization: 46.48 kJ/mol
Vapour Pressure: 0.0743 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 2
Exact Mass: 188.95894
MonoIsotopic Mass: 188.95894
Topological Polar Surface Area: 26
Heavy Atom Count: 9
Canonical SMILES: C1=CC(=C(C=C1F)N)Br
InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey: FWTXFEKVHSFTDQ-UHFFFAOYSA-N
Product Categories: Aniline; Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds; Pharmaceutical intermediate; Amines; C2 to C6; Nitrogen Compounds
Safety Profile
Hazard Codes: 
Xi, 
T
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.
RIDADR: UN2811
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III
Specification
2-Bromo-5-fluoroaniline (CAS NO.1003-99-2) is also named as 2-Brom-5-fluoranilin ; benzenamine, 2-bromo-5-fluoro- ; 2-Bromo-4-fluoroaniline ; 2-Bromo-5-fluoroaniline 98% . 2-Bromo-5-fluoroaniline (CAS NO.1003-99-2) is yellow to brown crystalline powder.
