CAS 69342-47-8|4-n-BUTYLPHENYLISOCYANATE|1-butyl-4-isocyanatobenzene|1-butyl-4-isocyanatobenzene|4-丁基异氰酸苯酯|4-正丁基苯基异氰酸酯|4-n-Butylphenyl isocyanate|4-Butylphenyl isocyanate|1-Butyl-4-i...

InChI=1S/C11H13NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3

LJJRXPXDTAUVQU-UHFFFAOYSA-N

C(=Nc1ccc(cc1)CCCC)=O

H Acceptors

H Donor

LogD (pH = 5.5)

3.7299287

LogD (pH = 7.4)

3.7299287

Log P

3.7299287

Molar Refractivity

53.9742

Polarizability

19.92289

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

1-butyl-4-isocyanatobenzene

4-n-BUTYLPHENYLISOCYANATE4-Butylphenyl isocyanate4-正丁基苯基异氰酸酯4-n-Butylphenyl isocyanate4-丁基异氰酸苯酯1-Butyl-4-isocyanatobenzene

1-butyl-4-isocyanatobenzene

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CH3(CH2)3C6H4NCO

97%

98%

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05207585

MP Biomedicals Rare Chemical collection

483400

Packaging
5, 25 mL in glass bottle

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Names and Identifiers

IUPAC Traditional name

1-butyl-4-isocyanatobenzene

Synonyms

4-n-BUTYLPHENYLISOCYANATE4-Butylphenyl isocyanate4-正丁基苯基异氰酸酯4-n-Butylphenyl isocyanate4-丁基异氰酸苯酯1-Butyl-4-isocyanatobenzene

IUPAC name

1-butyl-4-isocyanatobenzene

Registration numbers

CAS Number

Beilstein Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

483400

Packaging
5, 25 mL 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

Density

0.992 g/mL at 25 °C(lit.)

0.992

Personal Protective Equipment

European Hazard Symbols

GHS Precautionary statements

GHS Hazard statements

German water hazard class

Certificate of Analysis

Molecule

ID:27610