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74137-36-3 molecular structure
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1,3-dibromo-5-methoxybenzene

ChemBase ID: 88804
Molecular Formular: C7H6Br2O
Molecular Mass: 265.92994
Monoisotopic Mass: 263.87853881
SMILES and InChIs

SMILES:
Brc1cc(cc(c1)Br)OC
Canonical SMILES:
COc1cc(Br)cc(c1)Br
InChI:
InChI=1S/C7H6Br2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey:
OQZAQBGJENJMHT-UHFFFAOYSA-N

Cite this record

CBID:88804 http://www.chembase.cn/molecule-88804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dibromo-5-methoxybenzene
IUPAC Traditional name
1,3-dibromo-5-methoxybenzene
Synonyms
1,3-Dibromo-5-methoxybenzene
3,5-Dibromoanisole
3,5-Dibromoanisole
1,3-Dibromo-5-methoxybenzene
3,5-二溴苯甲醚
CAS Number
74137-36-3
MDL Number
MFCD02258848
PubChem SID
162075710
PubChem CID
11021812

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3530798  LogD (pH = 7.4) 3.3530798 
Log P 3.3530798  Molar Refractivity 47.7668 cm3
Polarizability 18.734276 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
34-38 °C expand Show data source
34-38°C expand Show data source
Boiling Point
124°C/9.75mm expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>230 °F expand Show data source
Storage Warning
Toxic expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
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
25 expand Show data source
Safety Statements
45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + 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 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3OC6H3Br2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 675830 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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