甲苯-1-13C|1-methyl(1-13C)benzene|1-methyl(1-13C)benzene|Toluene-1-13C|甲基苯-1-13C|Methylbenzene-1-13C

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+1

YXFVVABEGXRONW-CDYZYAPPSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.4866672

LogD (pH = 7.4)

2.4866672

Log P

2.4866672

Molar Refractivity

31.0992

Polarizability

12.165111

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

甲苯-1-13CToluene-1-13C甲基苯-1-13CMethylbenzene-1-13C

1-methyl(1-¹³C)benzene

IUPAC Traditional name

1-methyl(1-¹³C)benzene

Mol. Weight

mol wt 93.13 by atom % calculation

Empirical Formula (Hill Notation)

13CC6H8

Isotopic Purity

99 atom % 13C

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606553

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.

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

甲苯-1-13CToluene-1-13C甲基苯-1-13CMethylbenzene-1-13C

IUPAC name

1-methyl(1-¹³C)benzene

IUPAC Traditional name

1-methyl(1-¹³C)benzene

Registration numbers

MDL Number

PubChem SID

PubChem CID

Molecule Details

606553

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

European Hazard Symbols

GHS Precautionary statements

German water hazard class

Molecule

ID:135125