Trimethyl 4-bromoorthobutyrate

CAS
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Purity
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CAS
55444-67-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM55444672

Product Name

Trimethyl 4-bromoorthobutyrate

Structure

Structure

CAS

55444-67-2

Category

Ortho Esters

Synonyms

Trimethyl 4-bromoorthobutyrate, 4-Bromo-1,1,1-trimethoxybutane, 55444-67-2, AC1NPZZP, 340537_ALDRICH, CTK1G8729, Butane, 4-bromo-1,1,1-trimethoxy-, AG-F-93847

IUPAC Name

4-bromo-1,1,1-trimethoxybutane

Molecular Weight

227.10

Molecular Formula

C₇H₁₅BrO₃

Canonical SMILES

COC(CCCBr)(OC)OC

InChI Key

QBLJMYITBNHQOT-UHFFFAOYSA-N

Boiling Point

70ºC0.7 mm Hg(lit.)

Flash Point

163 °F

Density

1.309 g/mL at 25ºC(lit.)

Exact Mass

226.02000

Hazard Statements

H226-H315-H319-H335

H-Bond Acceptor

3

H-Bond Donor

0

RIDADR

UN 1993C 3 / PGIII

Safety Description

26-36/37/39

Symbol

GHS02

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of trimethyl 4-bromoorthobutyrate?

The molecular formula of trimethyl 4-bromoorthobutyrate is C7H15BrO3.

What is the molecular weight of trimethyl 4-bromoorthobutyrate?

The molecular weight of trimethyl 4-bromoorthobutyrate is 227.10 g/mol.

What is the IUPAC name of trimethyl 4-bromoorthobutyrate?

The IUPAC name of trimethyl 4-bromoorthobutyrate is 4-bromo-1,1,1-trimethoxybutane.

What is the InChI of trimethyl 4-bromoorthobutyrate?

The InChI of trimethyl 4-bromoorthobutyrate is InChI=1S/C7H15BrO3/c1-9-7(10-2,11-3)5-4-6-8/h4-6H2,1-3H3.

What is the InChIKey of trimethyl 4-bromoorthobutyrate?

The InChIKey of trimethyl 4-bromoorthobutyrate is QBLJMYITBNHQOT-UHFFFAOYSA-N.

What is the canonical SMILES of trimethyl 4-bromoorthobutyrate?

The canonical SMILES of trimethyl 4-bromoorthobutyrate is COC(CCCBr)(OC)OC.

What is the CAS number of trimethyl 4-bromoorthobutyrate?

The CAS number of trimethyl 4-bromoorthobutyrate is 55444-67-2.

What is the XLogP3-AA value of trimethyl 4-bromoorthobutyrate?

The XLogP3-AA value of trimethyl 4-bromoorthobutyrate is 1.3.

How many hydrogen bond donor count does trimethyl 4-bromoorthobutyrate have?

Trimethyl 4-bromoorthobutyrate has 0 hydrogen bond donor count.

How many rotatable bond count does trimethyl 4-bromoorthobutyrate have?

Trimethyl 4-bromoorthobutyrate has 6 rotatable bond count.

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