CAS 284474-43-7|3-溴-1-丙醇-d6|3-bromo(2H6)propan-1-ol|3-Bromo-1-propan-d6-ol|3-bromo(2H6)propan-1-ol

Molecular Formula

C₃H₇BrO

Molecular Mass

138.99108

Exact Mass

137.96802684

InChI

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

InChIKey

RQFUZUMFPRMVDX-UHFFFAOYSA-N

Canonic Smiles

OCCCBr

Isomeric Smiles

C(CO)CBr

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

9.794433

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

3-溴-1-丙醇-d63-Bromo-1-propan-d6-ol

IUPAC name

3-bromo(²H₆)propan-1-ol

IUPAC Traditional name

3-bromo(²H₆)propan-1-ol

CAS Number

MDL Number

PubChem SID

PubChem CID

European Hazard Symbols

Harmful (Xn)

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

MSDS Link

Download link

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

Corrosive to metals, category 1

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

Serious eye damage, category 1

GHS Precautionary statements

P280-P305+P351+P338

GHS Signal Word

Danger

GHS Hazard statements

H302-H318

Risk Statements

22-41

Safety Statements

26-39

German water hazard class

Physical Property

Product Information

Isotopic Purity

98 atom % D

Linear Formula

BrCD2CD2CD2OH

Mol. Weight

mol wt 144.91 by atom % calculation

No Data Available

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Sigma Aldrich

614491

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

Synonyms

3-溴-1-丙醇-d63-Bromo-1-propan-d6-ol

IUPAC name

3-bromo(²H₆)propan-1-ol

IUPAC Traditional name

3-bromo(²H₆)propan-1-ol

CAS Number

MDL Number

PubChem SID

PubChem CID

614491

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

98 atom % D

Linear Formula

BrCD2CD2CD2OH

Mol. Weight

mol wt 144.91 by atom % calculation

Molecule

ID:134597