C1=CC(=CC(=C1)N=C=O)N=C=O
CAS: 123-61-5
Name: 1,3-diisocyanatobenzene
SMILES: C1=CC(=CC(=C1)N=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: VGHSXKTVMPXHNG-UHFFFAOYSA-N
Synonyms
1,3-Phenylene diisocyanate123-61-51,3-DiisocyanatobenzeneBenzene, 1,3-diisocyanato-m-Phenylene diisocyanateBenzene 1,3-diisocyanateNacconate 400m-Phenylene isocyanateBenzene, m-diisocyanato-Benzene-1,3-diisocyanateISOCYANIC ACID, m-PHENYLENE ESTERNSC 511721EINECS 204-637-7B44H9MFH1SBRN 0776957AI3-28286NSC-511721DTXSID9044792mPhenylene isocyanateBenzene, mdiisocyanatomPhenylene diisocyanate1,3diisocyanatobenzeneBenzene1,3diisocyanateBenzene 1,3diisocyanateRefChem:414493Benzene, 1,3diisocyanatoDTXCID7024792Isocyanic acid, mphenylene ester204-637-71,3-Phenylenediisocyanate
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Involved in 16 reactions→

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