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3278-31-7 molecular structure
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1-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 91537
Molecular Formular: C14H8N2O4
Molecular Mass: 268.22432
Monoisotopic Mass: 268.04840675
SMILES and InChIs

SMILES:
N1(c2ccc(cc2)N2C(=O)C=CC2=O)C(=O)C=CC1=O
Canonical SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)N1C(=O)C=CC1=O
InChI:
InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
InChIKey:
AQGZJQNZNONGKY-UHFFFAOYSA-N

Cite this record

CBID:91537 http://www.chembase.cn/molecule-91537.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
Synonyms
1,4-Dimaleimidobenzene
N,N′-(p-Phenylene)dimaleimide
N,N′-(1,4-Phenylene)dimaleimide
1,1'-Benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
N,N'-Benzene-1,4-dimaleimide
1,4-PDM
p-N,N'-Phenylenebismaleimide
p-Phenylene Dimaleimide
1,4-Bismaleimidobenzene
1,4-Phenylenebismaleimide
4,4'-Phenylenedimaleimide
N,N'-1,4-Phenylenebismaleimide
1,4-Phenylene-bis-maleimide
N,N'-p-PHENYLENE-DIMALEIMIDE
N,N′-(对亚苯基)二马来酰亚胺
N,N′-(1,4-亚苯基)二马来酰亚胺
CAS Number
3278-31-7
EC Number
221-910-6
MDL Number
MFCD00005505
Beilstein Number
249631
PubChem SID
162078236
24887314
24898322
PubChem CID
76765

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.51821566  LogD (pH = 7.4) 0.5182173 
Log P 0.5182174  Molar Refractivity 69.9934 cm3
Polarizability 25.71558 Å3 Polar Surface Area 74.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C14H8N2O4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02156171 external link
Light yellow crystals.
Sigma Aldrich - P23989 external link
Packaging
10 g in glass bottle
Sigma Aldrich - 78485 external link
Other Notes
Bifunctional thiol reagent for the cross-linking of proteins1; Efficient procedure for the conjugation of an antibody with an enzyme2,3,4
Toronto Research Chemicals - P319810 external link
A short, sulfhydryl reactive hmombifunctional crosslinking reagent for protein crosslinking.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Knight, P., et al.: Biochem. J., 179, 191 (1979)
  • • Yoshitake, S., et al.: Scand. J. Immun., 10, 81 (1979)
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PATENTS

PATENTS

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INTERNET

INTERNET

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