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344-20-7 molecular structure
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2,6-dibromo-4-fluorophenol

ChemBase ID: 100036
Molecular Formular: C6H3Br2FO
Molecular Mass: 269.8938232
Monoisotopic Mass: 267.85346694
SMILES and InChIs

SMILES:
Oc1c(cc(cc1Br)F)Br
Canonical SMILES:
Fc1cc(Br)c(c(c1)Br)O
InChI:
InChI=1S/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey:
RRAZCUUOWIDAJS-UHFFFAOYSA-N

Cite this record

CBID:100036 http://www.chembase.cn/molecule-100036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dibromo-4-fluorophenol
IUPAC Traditional name
2,6-dibromo-4-fluorophenol
Synonyms
2,6-Dibromo-4-fluorophenol 97%
2,6-Dibromo-4-fluorophenol
2,6-二溴-4-氟苯酚
CAS Number
344-20-7
EC Number
206-451-1
MDL Number
MFCD00002317
Beilstein Number
1868033
PubChem SID
24855450
162086486
PubChem CID
67654

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 67654 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.4965878  H Acceptors
H Donor LogD (pH = 5.5) 3.3085177 
LogD (pH = 7.4) 2.42112  Log P 3.3498876 
Molar Refractivity 43.5009 cm3 Polarizability 16.875193 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-56°C expand Show data source
54-56°C expand Show data source
55-57 °C(lit.) expand Show data source
Storage Warning
Harmful expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98+% expand Show data source
99% expand Show data source
Linear Formula
Br2C6H2(F)OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 260037 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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