CAS 1016-19-9|5-Isocyanato-1,2,3-trimethoxybenzene|5-isocyanato-1,2,3-trimethoxybenzene|5-isocyanato-1,2,3-trimethoxybenzene|3,4,5-Trimethoxyphenyl isocyanate|3,4,5-三甲氧基苯基异氰酸酯|3,4,5-三甲氧...

InChI=1S/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3

MJJXWPHZDBIHIM-UHFFFAOYSA-N

O=C=Nc1cc(OC)c(c(c1)OC)OC

c1(c(cc(cc1OC)N=C=O)OC)OC

H Acceptors

H Donor

LogD (pH = 5.5)

1.4097877

LogD (pH = 7.4)

1.4097877

Log P

1.4097877

Molar Refractivity

54.5196

Polarizability

20.259201

Polar Surface Area

57.12

Rotatable Bonds

Lipinski's Rule of Five

true

5-Isocyanato-1,2,3-trimethoxybenzene3,4,5-三甲氧基苯基异氰酸酯3,4,5-Trimethoxyphenyl isocyanate3,4,5-三甲氧基异氰酸苯酯

IUPAC Traditional name

5-isocyanato-1,2,3-trimethoxybenzene

(CH3O)3C6H2NCO

97%

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456187

Packaging
1, 5 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

5-Isocyanato-1,2,3-trimethoxybenzene3,4,5-三甲氧基苯基异氰酸酯3,4,5-Trimethoxyphenyl isocyanate3,4,5-三甲氧基异氰酸苯酯

IUPAC Traditional name

5-isocyanato-1,2,3-trimethoxybenzene

IUPAC name

5-isocyanato-1,2,3-trimethoxybenzene

Registration numbers

CAS Number

MDL Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

456187

Packaging
1, 5 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

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

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

European Hazard Symbols

Personal Protective Equipment

German water hazard class

GHS Hazard statements

GHS Precautionary statements

Molecule

ID:35897