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615-58-7 molecular structure
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2,4-dibromophenol

ChemBase ID: 21811
Molecular Formular: C6H4Br2O
Molecular Mass: 251.90336
Monoisotopic Mass: 249.86288875
SMILES and InChIs

SMILES:
c1(cc(ccc1O)Br)Br
Canonical SMILES:
Brc1ccc(c(c1)Br)O
InChI:
InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey:
FAXWFCTVSHEODL-UHFFFAOYSA-N

Cite this record

CBID:21811 http://www.chembase.cn/molecule-21811.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromophenol
IUPAC Traditional name
2,4-dibromophenol
Synonyms
2,4-Dibromophenol
2,4-Dibromophenol
2,4-Dibromophenol 95%
2.4-二溴苯酚
2,4-二溴苯酚
CAS Number
615-58-7
EC Number
210-436-5
MDL Number
MFCD00002149
Beilstein Number
1861291
PubChem SID
160985118
24867793
24855633
PubChem CID
12005

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.708298  H Acceptors
H Donor LogD (pH = 5.5) 3.204524 
LogD (pH = 7.4) 3.0349545  Log P 3.2071857 
Molar Refractivity 43.2845 cm3 Polarizability 16.91027 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
35-38 °C(lit.) expand Show data source
35-38°C expand Show data source
35-39°C expand Show data source
40°C expand Show data source
Boiling Point
154 °C/11 mmHg(lit.) expand Show data source
154°C expand Show data source
239°C expand Show data source
239°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Irritant/Light Sensitive expand Show data source
RTECS
SK8010000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 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
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
25-36/37/38 expand Show data source
25-36/37/38-52/53 expand Show data source
R:25-27 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37-45-61 expand Show data source
S:28-29-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H315-H319-H335 expand Show data source
H300-H315-H319-H335-H402-H412 expand Show data source
GHS Precautionary statements
P261-P264-P301 + P310-P305 + P351 + P338 expand Show data source
P280H-P273-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Gene Information
human ... ALOX12(239), ALOX15(246) expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Grade
analytical standard 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 - 05209975 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 258164 external link
Packaging
5, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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