C1=CC(=CC=C1N=C=O)N=C=O
CAS: 104-49-4
Name: 1,4-diisocyanatobenzene
SMILES: C1=CC(=CC=C1N=C=O)N=C=O

Molecular Processing

Molecular formula
C8H4N2O2
Molecular weight
160.13
Exact mass
160.0273
XLogP
1.62
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.01

Supplementary Information

InChIKey: ALQLPWJFHRMHIU-UHFFFAOYSA-N
Synonyms
1,4-Phenylene diisocyanate1,4-Diisocyanatobenzenep-Phenylene diisocyanateBENZENE, 1,4-DIISOCYANATO-1,4-BenzenediisocyanateUNII-OKE64XZR2LOKE64XZR2LEINECS 203-207-6NSC 94776NSC-94776Phenylene-1,4-diisocyanateDTXSID3025883HYDROQUINONE, DIISOCYANATERefChem:73279Isocyanic acid, p-phenylene ester (6CI,7CI,8CI)DTXCID705883ALQLPWJFHRMHIU-UHFFFAOYSA-N104-49-4p-Phenylene isocyanateIsocyanic acid, p-phenylene ester1,4-PhenylenediisocyanateMFCD00002025benzene-1,4-diisocyanatePPDI1,4-diisocyanato-benzeneBenzene 1,4-Diisocyanatep-phenylenediisocyanateBenzene,4-diisocyanato-paraphenylene diisocyanate1,4-Phenylene diisocyanate [Diisocyanates]
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Involved in 39 reactions→

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