Home Other Building Blocks 1,4-Phenylene Diisocyanate

1,4-Phenylene Diisocyanate

CAS No.:
104-49-4
Catalog Number:
AG003DPD
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$116
- +
250g
>98.0%(GC)
1 week
United States
$431
- +
Product Description
Catalog Number:
AG003DPD
Chemical Name:
1,4-Phenylene Diisocyanate
CAS Number:
104-49-4
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
MDL Number:
MFCD00002025
IUPAC Name:
1,4-diisocyanatobenzene
InChI:
InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChI Key:
ALQLPWJFHRMHIU-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)N=C=O
EC Number:
203-207-6
UNII:
OKE64XZR2L
NSC Number:
94776
UN Number:
2811
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
A quinoline based bis-urea receptor for anions: a selective receptor for hydrogen sulfate. Natural product communications 20120301
Design and characterization of novel β-cyclodextrin based copolymer materials. Carbohydrate research 20110201
Molecular layer deposition of functional thin films for advanced lithographic patterning. ACS applied materials & interfaces 20110201
Surface-modified activated carbon with β-cyclodextrin--Part II. Adsorption properties. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20101101
Formation of organic nanoscale laminates and blends by molecular layer deposition. ACS nano 20100126
Coupling of triamines with diisocyanates on Au(111) leads to the formation of polyurea networks. Journal of the American Chemical Society 20091125
Immobilization of (1S,2R)-(+)-2-amino-1,2-diphenylethanol derivates on aminated silica gel with different linkages as chiral stationary phases and their enantioseparation evaluation by HPLC. Chirality 20090401
Facile synthesis of dithiatetraaza-macrocycles of potential anti-inflammatory activity. European journal of medicinal chemistry 20081001
First-principles calculation on the conductance of a single 1,4-diisocyanatobenzene molecule with single-walled carbon nanotubes as the electrodes. The Journal of chemical physics 20070227
Layer-by-layer growth on Ge(100) via spontaneous urea coupling reactions. Journal of the American Chemical Society 20050427
Properties