Trimethyl 4-bromoorthobutyrate

• CAS: 55444-67-2
• Catalog Number: ACM55444672
• Category: Ortho Esters
• Molecular Weight: 227.10
• Molecular Formula: C₇H₁₅BrO₃
• 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
• 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

Custom Q&A

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.