Benzene-1,2-13C2|(13C2)benzene|(13C2)benzene|苯-1,2-13C2

Molecular Formula

C₆H₆

Molecular Mass

80.09714968

Exact Mass

80.05365987

InChI

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

InChIKey

UHOVQNZJYSORNB-ZDOIIHCHSA-N

Canonic Smiles

[13cH]1[13cH]cccc1

Isomeric Smiles

c1cc[13cH][13cH]c1

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

Commercial Catalog

Academic Data

IUPAC Traditional name

(¹³C₂)benzene

Synonyms

Benzene-1,2-13C2苯-1,2-13C2

IUPAC name

(¹³C₂)benzene

MDL Number

MFCD00083903

PubChem CID

71308903

PubChem SID

162229046

GHS Precautionary statements

P201-P210-P301+P310-P305+P351+P338-P308+P313-P331

UN Number

1114

German water hazard class

Safety Statements

53-45

Packing Group

GHS Pictograms

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

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

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

European Hazard Symbols

Toxic (T)

Flammable (F)

GHS Hazard statements

H225-H304-H315-H319-H340-H350-H372

MSDS Link

Download link

RID/ADR

UN 1114 3/PG 2

Risk Statements

45-46-11-36/38-48/23/24/25-65

Hazard Class

GHS Signal Word

Danger

Physical Property

Product Information

Isotopic Purity

99 atom % 13C

Empirical Formula (Hill Notation)

13C2C4H6

Mol. Weight

mol wt 80.08 by atom % calculation

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Sigma Aldrich

586218

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.

No Data Available

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Commercial Catalog

Academic Data

IUPAC Traditional name

(¹³C₂)benzene

Synonyms

Benzene-1,2-13C2苯-1,2-13C2

IUPAC name

(¹³C₂)benzene

MDL Number

PubChem CID

PubChem SID

586218

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.

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

Isotopic Purity

99 atom % 13C

Empirical Formula (Hill Notation)

13C2C4H6

Mol. Weight

mol wt 80.08 by atom % calculation

Molecule

ID:134770