CAS 1228182-37-3|1,4-二氧六环-13C4|(2,3,5,6-13C4)-1,4-dioxane|(2,3,5,6-13C4)-1,4-dioxane|1,4-Dioxane-13C4

InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1+1,2+1,3+1,4+1

RYHBNJHYFVUHQT-JCDJMFQYSA-N

O1[13CH2][13CH2]O[13CH2][13CH2]1

[13CH2]1[13CH2]O[13CH2][13CH2]O1

H Acceptors

H Donor

LogD (pH = 5.5)

-0.09395102

LogD (pH = 7.4)

-0.09395102

Log P

-0.09395102

Molar Refractivity

22.087

Polarizability

8.785985

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

1,4-二氧六环-13C41,4-Dioxane-13C4

(2,3,5,6-¹³C₄)-1,4-dioxane

IUPAC Traditional name

(2,3,5,6-¹³C₄)-1,4-dioxane

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

99 atom % 13C

mol wt 92.04 by atom % calculation

97% (CP)

13C4H8O2

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718556

Packaging
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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

1,4-二氧六环-13C41,4-Dioxane-13C4

IUPAC name

(2,3,5,6-¹³C₄)-1,4-dioxane

IUPAC Traditional name

(2,3,5,6-¹³C₄)-1,4-dioxane

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Molecule Details

718556

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

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

Risk Statements

11-19-36/37-40-66

Supplemental Hazard Statements

May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Packing Group

Hazard Class

MSDS Link

Download link

German water hazard class

GHS Hazard statements

H225-H319-H335-H351

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Safety Statements

9-16-36/37-46

UN Number

1165

GHS Signal Word

Danger

GHS Precautionary statements

P210-P261-P281-P305+P351+P338

RID/ADR

UN 1165 3/PG 2

Empirical Formula (Hill Notation)

Molecule

ID:136229