CAS 56309-62-7|2-Isocyanato-1,4-dimethoxybenzene|2-isocyanato-1,4-dimethoxybenzene|2-isocyanato-1,4-dimethoxybenzene|2,5-Dimethoxyphenyl isocyanate|2,5-二甲氧基苯基异氰酸酯|异氰酸 2,5-二甲氧基苯酯

InChI=1S/C9H9NO3/c1-12-7-3-4-9(13-2)8(5-7)10-6-11/h3-5H,1-2H3

XNQBFHMCUNRKPM-UHFFFAOYSA-N

C(=Nc1cc(ccc1OC)OC)=O

H Acceptors

H Donor

LogD (pH = 5.5)

1.5674589

LogD (pH = 7.4)

1.5674589

Log P

1.5674589

Molar Refractivity

48.0564

Polarizability

17.7084

Polar Surface Area

47.89

Rotatable Bonds

Lipinski's Rule of Five

true

2-Isocyanato-1,4-dimethoxybenzene2,5-Dimethoxyphenyl isocyanate2,5-二甲氧基苯基异氰酸酯异氰酸 2,5-二甲氧基苯酯

2-isocyanato-1,4-dimethoxybenzene

IUPAC Traditional name

2-isocyanato-1,4-dimethoxybenzene

(CH3O)2C6H3NCO

97%

99%

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251895

Packaging
5 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

2-Isocyanato-1,4-dimethoxybenzene2,5-Dimethoxyphenyl isocyanate2,5-二甲氧基苯基异氰酸酯异氰酸 2,5-二甲氧基苯酯

IUPAC name

2-isocyanato-1,4-dimethoxybenzene

IUPAC Traditional name

2-isocyanato-1,4-dimethoxybenzene

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Beilstein Number

Molecule Details

251895

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

European Hazard Symbols

Personal Protective Equipment

GHS Hazard statements

GHS Precautionary statements

German water hazard class

Molecule

ID:35536