CAS 16413-26-6|3-isocyanatobenzonitrile|3-isocyanatobenzonitrile|3-Cyanophenylisocyanate 97%|3-氰基苯异氰酸酯|3-Cyanophenyl isocyanate|3-isocyanatobenzonitrile|3-Isocyanatobenzonitrile|3-氰基苯基异氰...

InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H

NZHPVPMRNASEQK-UHFFFAOYSA-N

N(=C=O)c1cc(ccc1)C#N

H Acceptors

H Donor

LogD (pH = 5.5)

1.7388977

LogD (pH = 7.4)

1.7388977

Log P

1.7388977

Molar Refractivity

40.8516

Polarizability

14.473003

Polar Surface Area

53.22

Rotatable Bonds

Lipinski's Rule of Five

true

3-isocyanatobenzonitrile

IUPAC Traditional name

3-isocyanatobenzonitrile

3-Cyanophenylisocyanate 97%3-氰基苯异氰酸酯3-Cyanophenyl isocyanate3-isocyanatobenzonitrile3-Isocyanatobenzonitrile3-氰基苯基异氰酸酯

97%

95%

NCC6H4NCO

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439991

Packaging
5 g in glass bottle

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Names and Identifiers

IUPAC name

3-isocyanatobenzonitrile

IUPAC Traditional name

3-isocyanatobenzonitrile

Synonyms

3-Cyanophenylisocyanate 97%3-氰基苯异氰酸酯3-Cyanophenyl isocyanate3-isocyanatobenzonitrile3-Isocyanatobenzonitrile3-氰基苯基异氰酸酯

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

439991

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

GHS Hazard statements

German water hazard class

GHS Precautionary statements

European Hazard Symbols

Personal Protective Equipment

Molecule

ID:91013