CAS 1196157-59-1|2-氯丙酸钠-13C3|sodium 2-chloro(1,2,3-13C3)propanoate|Sodium 2-chloropropionate-13C3|sodium 2-chloro(1,2,3-13C3)pro...

Molecular Formula

C₃H₄ClNaO₂

Molecular Mass

133.48339451

Exact Mass

132.98981584

InChI

InChI=1S/C3H5ClO2.Na/c1-2(4)3(5)6;/h2H,1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1;

InChIKey

RPOHBMAQTOJHKM-HCULJTSZSA-M

Canonic Smiles

[O-][13C](=O)[13CH](Cl)[13CH3].[Na+]

Isomeric Smiles

[13CH3][13CH]([13C](=O)[O-])Cl.[Na+]

JChem

Acid pKa

3.4175816

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1879898

LogD (pH = 7.4)

-2.515642

Log P

0.8827623

Molar Refractivity

32.7279

Polarizability

8.654845

Polar Surface Area

40.13

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

2-氯丙酸钠-13C3Sodium 2-chloropropionate-13C3

IUPAC Traditional name

sodium 2-chloro(1,2,3-¹³C₃)propanoate

IUPAC name

sodium 2-chloro(1,2,3-¹³C₃)propanoate

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

GHS Hazard statements

H302-H315-H319-H335

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

Safety Statements

GHS Signal Word

Warning

Risk Statements

22-36/37/38

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13CH313CHCl13CO2Na

Mol. Weight

mol wt 133.45 by atom % calculation

Purity

97% (CP)

Physical Property

Mass Shift

M+3

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

706264

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

Commercial Catalog

Academic Data

Synonyms

2-氯丙酸钠-13C3Sodium 2-chloropropionate-13C3

IUPAC Traditional name

sodium 2-chloro(1,2,3-¹³C₃)propanoate

IUPAC name

sodium 2-chloro(1,2,3-¹³C₃)propanoate

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

GHS Hazard statements

H302-H315-H319-H335

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

Safety Statements

GHS Signal Word

Warning

Risk Statements

22-36/37/38

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13CH313CHCl13CO2Na

Mol. Weight

mol wt 133.45 by atom % calculation

Purity

97% (CP)

Physical Property

Mass Shift

M+3

Sigma Aldrich

706264

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

Molecule

ID:135900