CAS 123-61-5|1,3-diisocyanatobenzene|benzene, 1,3-diisocyanato-|1,3-Phenylenediisocyanate 98%|1,3-二异苯氰酸酯|1,3-Phenylene diisocyanate|1,3-Diisocyanatobenzene

InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H

VGHSXKTVMPXHNG-UHFFFAOYSA-N

O=C=Nc1cccc(c1)N=C=O

N(=C=O)c1cccc(c1)N=C=O

H Acceptors

H Donor

LogD (pH = 5.5)

1.7923571

LogD (pH = 7.4)

1.7923571

Log P

1.7923571

Molar Refractivity

44.202

Polarizability

14.997357

Polar Surface Area

58.86

Rotatable Bonds

Lipinski's Rule of Five

true

1,3-diisocyanatobenzene

IUPAC Traditional name

benzene, 1,3-diisocyanato-

1,3-Phenylenediisocyanate 98%1,3-二异苯氰酸酯1,3-Phenylene diisocyanate1,3-Diisocyanatobenzene

C6H4(NCO)2

95%

96%

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308234

Packaging
5 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

1,3-diisocyanatobenzene

IUPAC Traditional name

benzene, 1,3-diisocyanato-

Synonyms

1,3-Phenylenediisocyanate 98%1,3-二异苯氰酸酯1,3-Phenylene diisocyanate1,3-Diisocyanatobenzene

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number

Beilstein Number

Molecule Details

308234

Packaging
5 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Personal Protective Equipment

GHS Hazard statements

German water hazard class

European Hazard Symbols

Molecule

ID:87226