(1-13C)phenol|苯酚-1-13C|(1-13C)phenol|Phenol-1-13C

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i6+1

ISWSIDIOOBJBQZ-PTQBSOBMSA-N

Acid pKa

10.01615

H Acceptors

H Donor

LogD (pH = 5.5)

1.6696674

LogD (pH = 7.4)

1.6686368

Log P

1.6696805

Molar Refractivity

28.0389

Polarizability

10.938309

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

苯酚-1-13CPhenol-1-13C

40-42 °C(lit.)

M+1

182 °C(lit.)

1.082 g/mL at 25 °C

mol wt 95.10 by atom % calculation

99 atom % 13C

13CC5H6O

Click here to submit data

606278

Packaging
250 mg in glass bottle
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.

Click here to submit data

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

(1-¹³C)phenol

Synonyms

苯酚-1-13CPhenol-1-13C

IUPAC name

(1-¹³C)phenol

Registration numbers

PubChem SID

MDL Number

PubChem CID

Molecule Details

606278

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

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

GHS Precautionary statements

GHS Hazard statements

European Hazard Symbols

Empirical Formula (Hill Notation)

Molecule

ID:135380