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  • Benzenamine,4-bromo-2,6-difluoro
Name:Benzenamine,4-bromo-2,6-difluoro
CAS No:67567-26-4

PRODUCT DESCRIPTION

【Name】
Benzenamine,4-bromo-2,6-difluoro-
【Iupac name】
4-bromo-2,6-difluoroaniline
【CAS Registry number】
67567-26-4
【Synonyms】
(4-Bromo-2,6-difluorophenyl)amine
4-Bromo-2,6-difluorobenzenamine
2,6-Difluoro-4-bromoaniline
4-Brom-2,6-difluoranilin
Benzenamine, 4-bromo-2,6-difluoro-
【Molecular Formula】
C6H4BrF2N (Products with the same molecular formula)
【Molecular Weight】
208
【Inchi】
InChI=1/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
【Canonical SMILES】
C1=C(C=C(C(=C1F)N)F)Br
【MOL File】
67567-26-4.mol

Chemical and Physical Properties

【Density】
1.788 g/cm3
【Melting Point】
67-68℃
【Boiling Point】
188.2 °C at 760 mmHg
【Refractive Index】
1.57
【Flash Point】
67.6 °C
【Computed Properties】
Molecular Weight:208.003466 [g/mol]
Molecular Formula:C6H4BrF2N
XLogP3-AA:2.1
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:206.949518
MonoIsotopic Mass:206.949518
Topological Polar Surface Area:26
Heavy Atom Count:10
Formal Charge:0
Complexity:110
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S22;S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

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