CAS 1173023-37-4|正丙基溴-2,3-13C2|1-bromo(2,3-13C2)propane|Propyl bromide-2,3-13C2|1-bromo(2,3-13C2)propane|1-Bromopropane-2,3-13C2...

Molecular Formula

C₃H₇Br

Molecular Mass

124.97698968

Exact Mass

123.9798219

InChI

InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3/i1+1,2+1

InChIKey

CYNYIHKIEHGYOZ-ZDOIIHCHSA-N

Canonic Smiles

[13CH3][13CH2]CBr

Isomeric Smiles

[13CH3][13CH2]CBr

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9008404

LogD (pH = 7.4)

1.9008404

Log P

1.9008404

Molar Refractivity

23.5684

Polarizability

9.060646

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

正丙基溴-2,3-13C2Propyl bromide-2,3-13C21-Bromopropane-2,3-13C21-溴丙烷-2,3-13C2

IUPAC Traditional name

1-bromo(2,3-¹³C₂)propane

IUPAC name

1-bromo(2,3-¹³C₂)propane

MDL Number

CAS Number

PubChem CID

PubChem SID

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

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

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

H225-H315-H319-H335+H336-H360FD-H373

UN 2344 3/PG 2

60-63-11-36/37/38-48/20-67

P201-P210-P261-P305+P351+P338-P308+P313

Product Information

mol wt 124.96 by atom % calculation

99 atom % 13C

13CH313CH2CH2Br

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

633275

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.

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Commercial Catalog

Academic Data

Synonyms

正丙基溴-2,3-13C2Propyl bromide-2,3-13C21-Bromopropane-2,3-13C21-溴丙烷-2,3-13C2

IUPAC Traditional name

1-bromo(2,3-¹³C₂)propane

IUPAC name

1-bromo(2,3-¹³C₂)propane

MDL Number

CAS Number

PubChem CID

PubChem SID

633275

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

Product Information

mol wt 124.96 by atom % calculation

99 atom % 13C

13CH313CH2CH2Br

Physical Property

Molecule

ID:135793