Products

3-Bromoanilines

Product name: 3-Bromoanilines
Alias: Meta-bromophenylamine
Chemical formula: C₆H₆BrN
Molecular weight: 172.023
CAS Reg. No.: 591-19-5
EINECS Reg. No.: 209-704-4
Melting point: 16.8 ℃
Boling point: 251 ℃
Solubility in water: Slightly soluble
Density: 1.58 g/cm³
Appearance: Colorless to pale yellow liquid
Safety description: S26; S28; S36/37/39; S45
Hazardous symbols: Xn
Hazardous description: R20/21/22; R36/37/38
MDL No.: MFCD00007757
RTECS number: CX9855300
BRN number: 742028
3-Bromoanilines, also known as o-bromoaniline, is an organic compound with the chemical formula C6H6BrN, mainly used as an organic synthesis raw material, pharmaceutical intermediate.

Physical and chemical properties

Density: 1.58g/cm3
Melting point: 16.8℃
Boiling point: 251℃
Refractive index: 1.625 (20℃)
Appearance: Colorless to pale yellow liquid
Solubility: Soluble in ethanol and ether, slightly soluble in water [1] 

Molecular structure data

Molar refractivity: 38.17
Molar volume (cm3/mol): 107.8
Isentropic compressibility (90.2 K): 283.6
Surface tension (dyne/cm): 47.7
Polarizability (10-24 cm3): 15.13 [1] 

Computational chemistry data

Hydrophobic parameter calculation reference value (XlogP): None
Number of hydrogen bond donors: 1
Number of hydrogen bond acceptors: 1
Number of rotatable bonds: 0
Number of tautomers: 0
Topological polar surface area: 26
Number of heavy atoms: 8
Surface charge: 0
Complexity: 74.9
Number of isotope atoms: 0
Number of defined atom stereo centers: 0
Number of undefined atom stereo centers: 0
Number of defined bond stereo centers: 0
Number of undefined bond stereo centers: 0
Number of covalent bond units: 1 [1] 

Uses

Mainly used as raw material for organic synthesis, medicinal intermediate.

Safety information

Safety terminology

S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the lable where possible).

Risk terminology

R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.