CAS 32488-44-1|CAS 32602-97-4|Benzene-13C6,d6|苯-13C6,d6|(13C6)benzene|(13C6)benzene|Benzene-13C6|苯-13C6

General Information

Structure

Molecular Formula

C₆H₆

Molecular Mass

84.06776903

Exact Mass

84.06707922

Charge

InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

UHOVQNZJYSORNB-IDEBNGHGSA-N

Canonic Smiles

[13cH]1[13cH][13cH][13cH][13cH][13cH]1

Isomeric Smiles

[13cH]1[13cH][13cH][13cH][13cH][13cH]1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9732459

LogD (pH = 7.4)

1.9732459

Log P

1.9732459

Molar Refractivity

26.058

Polarizability

10.40423

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

Benzene-13C6,d6苯-13C6,d6Benzene-13C6苯-13C6

IUPAC name

(¹³C₆)benzene

IUPAC Traditional name

(¹³C₆)benzene

Names and Identifiers

Registration numbers

PubChem SID

24866514162229429

CAS Number

32488-44-132602-97-4

MDL Number

MFCD00083904MFCD00143658

PubChem CID

11309472

Registration numbers

Properties

Safety Information

53-45

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

608637

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.

423637

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.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

Benzene-13C6,d6苯-13C6,d6Benzene-13C6苯-13C6

IUPAC name

(¹³C₆)benzene

IUPAC Traditional name

(¹³C₆)benzene

Registration numbers

PubChem SID

24866514162229429

CAS Number

32488-44-132602-97-4

MDL Number

MFCD00083904MFCD00143658

PubChem CID

11309472

Molecule Details

Sigma Aldrich

608637

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.

423637

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

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

53-45

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

Molecule

ID:135154