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608-33-3 molecular structure
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2,6-dibromophenol

ChemBase ID: 68236
Molecular Formular: C6H4Br2O
Molecular Mass: 251.90336
Monoisotopic Mass: 249.86288875
SMILES and InChIs

SMILES:
c1(c(cccc1Br)Br)O
Canonical SMILES:
Brc1cccc(c1O)Br
InChI:
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey:
SSIZLKDLDKIHEV-UHFFFAOYSA-N

Cite this record

CBID:68236 http://www.chembase.cn/molecule-68236.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dibromophenol
IUPAC Traditional name
2,6-dibromophenol
2,6-dibromo-phenol
Synonyms
2,6-Dibromophenol
2,6-Dibromophenol
2,6-二溴苯酚
CAS Number
608-33-3
EC Number
210-161-0
MDL Number
MFCD00002152
Beilstein Number
2043614
PubChem SID
24860721
162033968
24855174
24867799
PubChem CID
11847

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.7895308  H Acceptors
H Donor LogD (pH = 5.5) 3.1856122 
LogD (pH = 7.4) 2.514804  Log P 3.2071857 
Molar Refractivity 43.2845 cm3 Polarizability 16.916832 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
53-56 °C expand Show data source
53-56 °C(lit.) expand Show data source
53-57°C expand Show data source
53-57°C expand Show data source
55 - 56°C expand Show data source
Boiling Point
255-256 °C/740 mmHg(lit.) expand Show data source
255-256°C expand Show data source
255-256°C expand Show data source
Hydrophobicity(logP)
3.042 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
28-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Gene Information
human ... ALOX12(239), ALOX15(246), GABRA1(2554) expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
Br2C6H3OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201991 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 252018 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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