Triethyl 2-phosphonobutyrate

CAS
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Purity
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CAS
17145-91-4
Size
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Purity
98%
Price
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Catalog Number

ACM17145914-1

Product Name

Triethyl 2-phosphonobutyrate

Structure

Structure

CAS

17145-91-4

Category

Heterocyclic Organic Compound

Synonyms

Ethyl 2-(diethoxyphosphoryl)butanoate; α-Diethylphosphonobutanoic acid ethyl ester

IUPAC Name

ethyl 2-diethoxyphosphorylbutanoate

Molecular Weight

252.24

Molecular Formula

C10H21O5P

InChI

GYUCVQSNZFRDRL-UHFFFAOYSA-N

InChI Key

InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3

Boiling Point

152-154 °C at 14 mmHg(lit.)

Flash Point

>230 °F

Density

1.064 g/mL at 25 °C(lit.)

Appearance

Liquid

Isomeric SMILES

CCC(C(=O)OCC)P(=O)(OCC)OCC

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the IUPAC name of the compound featured?

The IUPAC name of the compound is ethyl 2-diethoxyphosphorylbutanoate.

What is the molecular formula of the compound?

The molecular formula is C10H21O5P.

What is the CAS number of the compound?

The CAS number is 17145-91-4.

How many heavy atoms are present in the compound?

There are 16 heavy atoms in the compound.

What is the molecular weight of the compound?

The molecular weight is 252.24g/mol.

How many hydrogen bond acceptors are present in the compound?

There are 5 hydrogen bond acceptors in the compound.

How many rotatable bonds are present in the compound?

There are 9 rotatable bonds in the compound.

What is the XLogP3 value of the compound?

The XLogP3 value is 1.4.

What is the exact mass of the compound?

The exact mass is 252.11266076.

What are some of the depositor-supplied synonyms for the compound?

Some of the synonyms include Triethyl 2-phosphonobutyrate, Ethyl 2-(diethoxyphosphoryl)butanoate, and Butyric acid, 2-phosphono-, triethyl ester.

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