CAS 15166-26-4|1-chloro-2,4-diisocyanato-5-methylbenzene|5-CHLORO-2,4-TOLUENE DIISOCYANATE|1-chloro-2,4-diisocyanato-5-methylbenzene|4-Chloro-6-methyl-1,3-phenylene diisocyanate|4-氯-6-甲基间亚苯基二...

InChI=1S/C9H5ClN2O2/c1-6-2-7(10)9(12-5-14)3-8(6)11-4-13/h2-3H,1H3

AULVDVFFHZBVDO-UHFFFAOYSA-N

O=C=Nc1cc(N=C=O)c(cc1C)Cl

Cc1cc(Cl)c(cc1N=C=O)N=C=O

H Acceptors

H Donor

LogD (pH = 5.5)

2.9098232

LogD (pH = 7.4)

2.9098232

Log P

2.9098232

Molar Refractivity

54.048

Polarizability

18.717817

Polar Surface Area

58.86

Rotatable Bonds

Lipinski's Rule of Five

true

1-chloro-2,4-diisocyanato-5-methylbenzene

5-CHLORO-2,4-TOLUENE DIISOCYANATE4-Chloro-6-methyl-1,3-phenylene diisocyanate4-氯-6-甲基间亚苯基二异氰酸酯5-Chloro-2,4-toluene diisocyanate4-氯-6-甲基间苯基二异氰酸酯

IUPAC Traditional name

1-chloro-2,4-diisocyanato-5-methylbenzene

Certificate of Analysis

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Purity

98%

Linear Formula

ClC6H2(CH3)(NCO)2

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Harmful (Xn)

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05222714

MP Biomedicals Rare Chemical collection

478482

Packaging
2 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

1-chloro-2,4-diisocyanato-5-methylbenzene

Synonyms

5-CHLORO-2,4-TOLUENE DIISOCYANATE4-Chloro-6-methyl-1,3-phenylene diisocyanate4-氯-6-甲基间亚苯基二异氰酸酯5-Chloro-2,4-toluene diisocyanate4-氯-6-甲基间苯基二异氰酸酯

IUPAC Traditional name

1-chloro-2,4-diisocyanato-5-methylbenzene

Registration numbers

CAS Number

PubChem CID

PubChem SID

EC Number

Beilstein Number

MDL Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

478482

Packaging
2 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

German water hazard class

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H331-H302-H315-H319-H335-H334

GHS Precautionary statements

P261-P280-P305+P351+P338

P285-P305+P351+P338-P302+P352-P321-P405-P501A

Risk Statements

20/21/22-36/37/38

20/22-36/37/38-42

Safety Statements

23-26-36

22-26-36/37-45

GHS Signal Word

Warning

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 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

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

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Storage Warning

Moisture Sensitive

TSCA Listed

否

Hazard Class

6.1

Packing Group

III

UN Number

UN2811

European Hazard Symbols

Molecule

ID:112141