CAS 219526-41-7|萘-13C10|萘-ul-13C|Naphthalene-ul-13C|(1,2,3,4,4a,5,6,7,8,8a-13C10)naphthalene|Naphthalene-13C10|(1,2,3,4,4a,5,6,7,8,8a-13...

General Information

Structure

Molecular Formula

C₁₀H₈

Molecular Mass

138.09706838

Exact Mass

138.09614864

Charge

InChI

InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1

InChIKey

UFWIBTONFRDIAS-IIYFYTTLSA-N

Canonic Smiles

[13cH]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13cH]2

Isomeric Smiles

[13cH]1[13cH][13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9627225

LogD (pH = 7.4)

2.9627225

Log P

2.9627225

Molar Refractivity

42.5082

Polarizability

18.077257

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

萘-13C10萘-ul-13CNaphthalene-ul-13CNaphthalene-13C10Moth Flakes-13C10Dezodorator-13C10Tar Camphor-13C10White Tar-13C10Albocarbon-13C10NSC 37565-13C10Naphthalene-13C10

IUPAC Traditional name

(1,2,3,4,4a,5,6,7,8,8a-¹³C₁₀)naphthalene

IUPAC name

(1,2,3,4,4a,5,6,7,8,8a-¹³C₁₀)naphthalene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13C10H8

Mol. Weight

mol wt 138.00 by atom % calculation

Certificate of Analysis

Download link

Physical Property

Boiling Point

218 °C(lit.)

M+10

80-82 °C(lit.)

Safety Information

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

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

579653

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.

TRC

N345603

Labelled polycyclic aromatic hydrocarbons as micropollutants.

Molecule Details

References

PubChem Literature

From Data Sources

• Junghans, M., et al.: Aquat. Toxicol., 76, 93 (2000)

• Incardona, J., et al.: Toxicol. Appl. Pharmacol., 196, 191 (2000)

• Di Toro, D., et al.: Environ. Toxicol. Chem., 19, 1971 (2000)

• Vines, C., et al.: Aquat. Toxicol., 51, 225 (2000)

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• MDL Number

• CAS Number

• PubChem CID

• PubChem SID

Properties

• Product Information

• Physical Property

• Safety Information

Related Proteins

Molecular Spectra

Molecule Details

• Sigma Aldrich

• TRC

References

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Commercial Catalog

Academic Data

Synonyms

萘-13C10萘-ul-13CNaphthalene-ul-13CNaphthalene-13C10Moth Flakes-13C10Dezodorator-13C10Tar Camphor-13C10White Tar-13C10Albocarbon-13C10NSC 37565-13C10Naphthalene-13C10

IUPAC Traditional name

(1,2,3,4,4a,5,6,7,8,8a-¹³C₁₀)naphthalene

IUPAC name

(1,2,3,4,4a,5,6,7,8,8a-¹³C₁₀)naphthalene

MDL Number

CAS Number

PubChem CID

PubChem SID

579653

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.

TRC

N345603

Labelled polycyclic aromatic hydrocarbons as micropollutants.

From Data Sources

• Junghans, M., et al.: Aquat. Toxicol., 76, 93 (2000)

• Incardona, J., et al.: Toxicol. Appl. Pharmacol., 196, 191 (2000)

• Di Toro, D., et al.: Environ. Toxicol. Chem., 19, 1971 (2000)

• Vines, C., et al.: Aquat. Toxicol., 51, 225 (2000)

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13C10H8

Mol. Weight

mol wt 138.00 by atom % calculation

Certificate of Analysis

Download link

Physical Property

Boiling Point

218 °C(lit.)

M+10

80-82 °C(lit.)

Safety Information

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

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

GHS Precautionary statements

P210-P273-P281-P501

GHS Hazard statements

H228-H302-H351-H410

European Hazard Symbols

Harmful (Xn)

Nature polluting (N)

Safety Statements

36/37-46-60-61

Hazard Class

4.1

Packing Group

RID/ADR

UN 1334 4.1/PG 3

German water hazard class

Risk Statements

22-40-50/53

UN Number

1334

MSDS Link

Download link

GHS Signal Word

Warning

Molecule

ID:134785