CAS 101-38-2|2,6-dichloro-4-(chloroimino)cyclohexa-2,5-dien-1-one|2,6-DICHLORO-1,4-QUINONE-4-CHLORIMIDE|gibbs reagent|2,6-二氯醌-4-氯亚胺|2,6-二氯苯醌氯亚胺|2,6-Dichloroquinone-4-chloroimide|Gibb 试...

InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

YHUMTHWQGWPJOQ-UHFFFAOYSA-N

Cl/N=C/1\C=C(Cl)C(=O)C(=C1)Cl

Cl/N=C\1/C=C(Cl)C(=O)C(=C1)Cl

H Acceptors

H Donor

LogD (pH = 5.5)

2.576893

LogD (pH = 7.4)

2.5768945

Log P

2.5768945

Molar Refractivity

48.0048

Polarizability

17.14059

Polar Surface Area

29.43

Rotatable Bonds

Lipinski's Rule of Five

true

2,6-dichloro-4-(chloroimino)cyclohexa-2,5-dien-1-one

2,6-DICHLORO-1,4-QUINONE-4-CHLORIMIDE2,6-二氯醌-4-氯亚胺2,6-Dichloroquinone-4-chloroimide2,6-二氯苯醌氯亚胺Gibb 试剂N,2,6-Trichloro-p-benzoquinoneimideGibb’s reagent2,6-Dichloro-4-(chloroiMino)cyclohexa-2,5-dienone

IUPAC Traditional name

Download link

GU5470000

Danger

Irritant (Xi)

65-67 °C(lit.)

65-68 °C

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D6511

包装
5, 10, 25, 50 g in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

2,6-dichloro-4-(chloroimino)cyclohexa-2,5-dien-1-one

Synonyms

IUPAC Traditional name

gibbs reagent

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number

PubChem SID

2489403216209416524861862

PubChem CID

7556

Molecule Details

Sigma Aldrich

D6511

包装
5, 10, 25, 50 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Flammable (F)

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Safety Statements

15-26

UN Number

3224

Storage Temperature

2-8°C

Risk Statements

5-11-36/37/38

GHS Pictograms

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

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

RID/ADR

UN 3224 4.1

Hazard Class

4.1

GHS Hazard statements

H242-H315-H319-H335

GHS Precautionary statements

P261-P305+P351+P338

German water hazard class

European Hazard Symbols

Molecule

ID:108586