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1321-74-0 molecular structure
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1,3-diethenylbenzene

ChemBase ID: 303675
Molecular Formular: C10H10
Molecular Mass: 130.1864
Monoisotopic Mass: 130.07825032
SMILES and InChIs

SMILES:
C=Cc1cccc(c1)C=C
Canonical SMILES:
C=Cc1cccc(c1)C=C
InChI:
InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2
InChIKey:
PRJNEUBECVAVAG-UHFFFAOYSA-N

Cite this record

CBID:303675 http://www.chembase.cn/molecule-303675.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-diethenylbenzene
IUPAC Traditional name
M-diethenylbenzene
Synonyms
Divinylbenzene
二乙烯基苯
CAS Number
1321-74-0
EC Number
215-325-5
MDL Number
MFCD01778656

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 42805 external link Add to cart 42804 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.44665  LogD (pH = 7.4) 3.44665 
Log P 3.44665  Molar Refractivity 45.4306 cm3
Polarizability 17.497372 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)
Apperance
Liquid expand Show data source
Flash Point
62°C(143°F) expand Show data source
69°C(156°F) expand Show data source
Density
0.912 expand Show data source
0.914 expand Show data source
Refractive Index
1.5740 expand Show data source
RTECS
CZ9370000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227-H303 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
55%, mixture of isomers, stab. with 1000ppm 4-tert-butylcatechol expand Show data source
80%, mixture of isomers, stab. with 1000ppm 4-tert-butylcatechol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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