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3-Bromoaniline CAS No.:591-19-5

3-Bromoaniline CAS No.:591-19-5

3-Bromoaniline Chemical Properties IUPAC Name: 3-Bromoaniline Molecular Formula: C6H6BrN Molecular Weight: 172.02 g/mol Canonical SMILES: c1c(cccc1Br)N InChI: InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 EINECS: 209-704-4 Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Amines;...

Name

3-Bromoaniline

EINECS

209-704-4

CAS No.

591-19-5

Density

1.594 g/cm3

Solubility

insoluble in water

Melting Point

16.8 °C

Formula

C6H6BrN

Boiling Point

251 °C at 760 mmHg

Molecular Weight

172.02

Flash Point

101.2 °C

Transport Information

UN 2810 6.1/PG 2

Appearance

Colourless Liquid

Safety

28-36/37/39-45-26

Risk Codes

23/24/25-33-38-36/37/38-20/21/22

Molecular Structure

1.jpg

Hazard Symbols

6.jpgT, 


5(001).jpgXn, 


3(001).jpgXi

Synonyms

Aniline,m-bromo- (8CI);(3-Bromophenyl)amine;(m-Bromophenyl)amine;1-Amino-3-bromobenzene;3-Amino-1-bromobenzene;3-Bromobenzenamine;m-Aminobromobenzene;




3-Bromoaniline Chemical Properties

1.jpg

IUPAC Name: 3-Bromoaniline 

Molecular Formula: C6H6BrN 

Molecular Weight: 172.02 g/mol

Canonical SMILES: c1c(cccc1Br)N

InChI: InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

EINECS: 209-704-4

Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Aromatics Compounds; Anilines, Amides & Amines; Bromine Compounds; Aromatics;Phenyls & Phenyl-Het; C2 to C6; Nitrogen Compounds 

Water Solubility: insoluble 

XLogP3: 2.1 

H-Bond Donor: 1 

H-Bond Acceptor: 1 

Index of Refraction: 1.625 

Molar Refractivity: 38.17 cm3 

Molar Volume: 107.8 cm3 

Polarizability: 15.13×10-24 cm3 

Surface Tension: 47.7 dyne/cm 

Density: 1.594 g/cm3 

Flash Point: 101.2 °C 

Enthalpy of Vaporization: 48.83 kJ/mol 

Boiling Point: 251 °C at 760 mmHg 

Melting Point: 16.8 °C

Water Solubility: 968 mg/L at 25 °C

Henry's Law Constant: 7.59E-07 atm-m3/mole at 25 °C 

Atmospheric OH Rate Constant: 6.78E-11 cm3/molecule-sec at 25 °C 

Vapour Pressure of 3-Bromoaniline (CAS NO.591-19-5): 0.021 mmHg at 25 °C


3-Bromoaniline Uses

3-Bromoaniline (CAS NO.591-19-5) is used as organic synthesis intermediates.


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