CAS 126085-91-4|Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate|ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate|ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate|3-(Ethoxycarbonyl)-5-(tributy...

Molecular Formula

C₁₈H₃₃NO₃Sn

Molecular Mass

430.16052

Exact Mass

431.14823792

InChI

InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;

InChIKey

LDFBGRFJCWKQCA-UHFFFAOYSA-N

Canonic Smiles

CCCC[Sn](c1onc(c1)C(=O)OCC)(CCCC)CCCC

Isomeric Smiles

c1(cc(on1)[Sn](CCCC)(CCCC)CCCC)C(=O)OCC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.8676

LogD (pH = 7.4)

3.8676

Log P

3.8676

Molar Refractivity

90.9872

Polarizability

40.14495

Polar Surface Area

52.33

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2763256

IUPAC name

ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate

Synonyms

Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate3-(Ethoxycarbonyl)-5-(tributylstannyl)isoxazole, [3-(Ethoxycarbonyl)isoxazol-5-yl]tributylstannaneEthyl-5-(tributylstannyl)isoxazole-3-carboxylate5-(三丁基甲锡烷基)异噁唑-3-羧酸乙酯

IUPAC Traditional name

ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate

PubChem SID

162029881

MDL Number

MFCD07368612

CAS Number

126085-91-4

Storage Warning

IRRITANT

Toxic/Harmful/Air Sensitive/Moisture Sensitive/Store under Argon

MSDS Link

Download link

TSCA Listed

false

GHS Pictograms

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

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

UN Number

2788

European Hazard Symbols

Nature polluting (N)

Toxic (T)

GHS Signal Word

Danger

Safety Statements

36/37/39-45-60-61

German water hazard class

GHS Hazard statements

H301-H312-H315-H319-H372-H410

Hazard Class

6.1

GHS Precautionary statements

P273-P280-P301+P310-P305+P351+P338-P314-P501

Packing Group

RID/ADR

UN 2788 6.1/PG 3

Risk Statements

21-25-36/38-48/23/25-50/53

Product Information

Purity

96%

Empirical Formula (Hill Notation)

C18H33NO3Sn

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

706981

Packaging
1 g in glass bottle
500 mg in glass bottle

No Data Available

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Academic Data

PubChem

2763256

IUPAC name

ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate

Synonyms

IUPAC Traditional name

ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate

PubChem SID

162029881

MDL Number

MFCD07368612

CAS Number

126085-91-4

Safety Information

Product Information

Purity

96%

Empirical Formula (Hill Notation)

C18H33NO3Sn

Physical Property

Sigma Aldrich

706981

Packaging
1 g in glass bottle
500 mg in glass bottle

No Data Available

Click here to submit data

Molecule

ID:64142