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2052-07-5 molecular structure
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1-bromo-2-phenylbenzene

ChemBase ID: 76917
Molecular Formular: C12H9Br
Molecular Mass: 233.10386
Monoisotopic Mass: 231.98876229
SMILES and InChIs

SMILES:
Brc1ccccc1c1ccccc1
Canonical SMILES:
Brc1ccccc1c1ccccc1
InChI:
InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey:
KTADSLDAUJLZGL-UHFFFAOYSA-N

Cite this record

CBID:76917 http://www.chembase.cn/molecule-76917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-phenylbenzene
IUPAC Traditional name
O-bromobiphenyl
Synonyms
2-Bromobiphenyl
2-Bromobiphenyl
2-溴联苯基
2-溴联苯
CAS Number
2052-07-5
EC Number
218-141-3
MDL Number
MFCD00000065
Beilstein Number
1863156
PubChem SID
162041816
24855193
PubChem CID
16329

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3892236  LogD (pH = 7.4) 4.3892236 
Log P 4.3892236  Molar Refractivity 58.817 cm3
Polarizability 23.916405 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
0-2°C expand Show data source
1.5-2 °C(lit.) expand Show data source
1.5-2°C expand Show data source
Boiling Point
297-298 °C(lit.) expand Show data source
297-298°C expand Show data source
298°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
113°C expand Show data source
235.4 °F expand Show data source
Density
1.352 expand Show data source
1.352 g/mL at 25 °C(lit.) expand Show data source
1.376 expand Show data source
Refractive Index
1.6290 expand Show data source
n20/D 1.628(lit.) expand Show data source
Storage Warning
Irritant/Light Sensitive expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
96% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5C6H4Br expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209250 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 252247 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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