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5707-44-8 molecular structure
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1-ethyl-4-phenylbenzene

ChemBase ID: 77115
Molecular Formular: C14H14
Molecular Mass: 182.26096
Monoisotopic Mass: 182.10955045
SMILES and InChIs

SMILES:
CCc1ccc(cc1)c1ccccc1
Canonical SMILES:
CCc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey:
SRQOBNUBCLPPPH-UHFFFAOYSA-N

Cite this record

CBID:77115 http://www.chembase.cn/molecule-77115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-4-phenylbenzene
IUPAC Traditional name
1-ethyl-4-phenylbenzene
Synonyms
4-Ethyl-1,1'-Biphenyl
4-Ethylbiphenyl
4-Ethylbiphenyl
4-乙基联苯
CAS Number
5707-44-8
MDL Number
MFCD00010236
Beilstein Number
1904973
PubChem SID
162041989
24854835
PubChem CID
79786

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.578461  LogD (pH = 7.4) 4.578461 
Log P 4.578461  Molar Refractivity 60.8364 cm3
Polarizability 25.133537 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
34-35.5 °C(lit.) expand Show data source
34-36°C expand Show data source
Boiling Point
140°C/15mm expand Show data source
149-149.8 °C/12 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
MSDS Link
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, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Linear Formula
C6H5C6H4C2H5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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