Home > Compound List > Compound details
141474-37-5 molecular structure
click picture or here to close

2,4-dibromo-6-fluoroaniline

ChemBase ID: 15472
Molecular Formular: C6H4Br2FN
Molecular Mass: 268.9090632
Monoisotopic Mass: 266.86945135
SMILES and InChIs

SMILES:
c1c(cc(c(c1F)N)Br)Br
Canonical SMILES:
Brc1cc(F)c(c(c1)Br)N
InChI:
InChI=1S/C6H4Br2FN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey:
YJLXEKFYZIBUPJ-UHFFFAOYSA-N

Cite this record

CBID:15472 http://www.chembase.cn/molecule-15472.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromo-6-fluoroaniline
IUPAC Traditional name
2,4-dibromo-6-fluoroaniline
Synonyms
2,4-Dibromo-6-fluoroaniline
2,4-Dibromo-6-fluoroaniline 98%
2,4-Dibromo-6-fluoroaniline
2,4-二溴-6-氟苯胺
CAS Number
141474-37-5
MDL Number
MFCD00042230
Beilstein Number
6289292
PubChem SID
160978779
PubChem CID
2736765

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.605637  H Acceptors
H Donor LogD (pH = 5.5) 2.824514 
LogD (pH = 7.4) 2.8245268  Log P 2.824527 
Molar Refractivity 46.2204 cm3 Polarizability 17.302828 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-64°C expand Show data source
62-64°C expand Show data source
Storage Warning
IRRITANT, TOXIC expand Show data source
Toxic expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle