CAS 1173021-06-1|3-bromo(1,2,3-13C3)propan-1-ol|3-bromo(1,2,3-13C3)propan-1-ol|3-溴-1-丙醇-13C3|3-Bromo-1-propanol-13C3

Molecular Formula

C₃H₇BrO

Molecular Mass

141.96904451

Exact Mass

140.97809136

InChI

InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2/i1+1,2+1,3+1

InChIKey

RQFUZUMFPRMVDX-VMIGTVKRSA-N

Canonic Smiles

O[13CH2][13CH2][13CH2]Br

Isomeric Smiles

[13CH2]([13CH2]O)[13CH2]Br

JChem

Acid pKa

15.9464445

H Acceptors

H Donor

LogD (pH = 5.5)

0.39136776

LogD (pH = 7.4)

0.39136776

Log P

0.39136776

Molar Refractivity

25.4535

Polarizability

9.801058

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

3-bromo(1,2,3-¹³C₃)propan-1-ol

IUPAC Traditional name

3-bromo(1,2,3-¹³C₃)propan-1-ol

Synonyms

3-溴-1-丙醇-13C33-Bromo-1-propanol-13C3

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

Br13CH213CH213CH2OH

Mol. Weight

mol wt 141.94 by atom % calculation

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

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

Risk Statements

22-41

Safety Statements

26-39

GHS Hazard statements

H302-H318

MSDS Link

Download link

GHS Signal Word

Danger

European Hazard Symbols

Harmful (Xn)

GHS Precautionary statements

P280-P305+P351+P338

German water hazard class

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

642525

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 name

3-bromo(1,2,3-¹³C₃)propan-1-ol

IUPAC Traditional name

3-bromo(1,2,3-¹³C₃)propan-1-ol

Synonyms

3-溴-1-丙醇-13C33-Bromo-1-propanol-13C3

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

Br13CH213CH213CH2OH

Mol. Weight

mol wt 141.94 by atom % calculation

Safety Information

Physical Property

Sigma Aldrich

642525

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:135997