CAS 1476-23-9|1-propene, 3-isocyanato-|3-Isocyanatoprop-1-ene|3-isocyanatoprop-1-ene|Allyl isocyanate|异氰酸烯丙酯

InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

HXBPYFMVGFDZFT-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

0.6886303

LogD (pH = 7.4)

0.6886303

Log P

0.6886303

Molar Refractivity

22.5009

Polarizability

8.36248

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

3-isocyanatoprop-1-ene

3-Isocyanatoprop-1-eneAllyl isocyanate异氰酸烯丙酯

IUPAC Traditional name

1-propene, 3-isocyanato-

98%

CH2=CHCH2NCO

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243272

Application
Reacts with pyroglutamate in the presence of sodium hydride to form N-allylhydantoins.1
Packaging
5, 25 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

3-isocyanatoprop-1-ene

Synonyms

3-Isocyanatoprop-1-eneAllyl isocyanate异氰酸烯丙酯

IUPAC Traditional name

1-propene, 3-isocyanato-

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

PubChem CID

Molecule Details

243272

Application
Reacts with pyroglutamate in the presence of sodium hydride to form N-allylhydantoins.1
Packaging
5, 25 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Flammable (F)

Flash Point

43 °C

109.4 °F

6°C(43°F)

GHS Precautionary statements

European Hazard Symbols

Personal Protective Equipment

GHS Hazard statements

German water hazard class

Molecule

ID:34811