2-Bromomethyl-1,3-dioxolane

• CAS: 4360-63-8
• Catalog Number: ACM4360638
• Category: Ortho Esters
• Molecular Weight: 167
• Molecular Formula: C4H7BrO2
• Synonyms: 1,3-Dioxolane, 2-(bromomethyl)-
• IUPAC Name: 2-(bromomethyl)-1,3-dioxolane
• SMILES: C1COC(O1)CBr
• InChI: InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
• InChI Key: CKIIJIDEWWXQEA-UHFFFAOYSA-N
• Density: 1.613 g/ml
• Hazard Statements: H225
• RIDADR: UN1165 - class 3 - PG 2 - Dioxane
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 2-Bromomethyl-1,3-dioxolane?

The molecular formula of 2-Bromomethyl-1,3-dioxolane is C4H7BrO2.

What is the molecular weight of 2-Bromomethyl-1,3-dioxolane?

The molecular weight of 2-Bromomethyl-1,3-dioxolane is 167.00 g/mol.

What is the IUPAC name of 2-Bromomethyl-1,3-dioxolane?

The IUPAC name of 2-Bromomethyl-1,3-dioxolane is 2-(bromomethyl)-1,3-dioxolane.

What is the InChI of 2-Bromomethyl-1,3-dioxolane?

The InChI of 2-Bromomethyl-1,3-dioxolane is InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2.

What is the InChIKey of 2-Bromomethyl-1,3-dioxolane?

The InChIKey of 2-Bromomethyl-1,3-dioxolane is CKIIJIDEWWXQEA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromomethyl-1,3-dioxolane?

The canonical SMILES of 2-Bromomethyl-1,3-dioxolane is C1COC(O1)CBr.

What is the CAS number of 2-Bromomethyl-1,3-dioxolane?

The CAS number of 2-Bromomethyl-1,3-dioxolane is 4360-63-8.

What is the EC number of 2-Bromomethyl-1,3-dioxolane?

The EC number of 2-Bromomethyl-1,3-dioxolane is 224-443-6.

What is the DSSTox Substance ID of 2-Bromomethyl-1,3-dioxolane?

The DSSTox Substance ID of 2-Bromomethyl-1,3-dioxolane is DTXSID1063431.

Is 2-Bromomethyl-1,3-dioxolane a canonicalized compound?

Yes, 2-Bromomethyl-1,3-dioxolane is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 107-21-1
• 75-07-0

• 4360-63-8

Reference: [1] Patent: CN105418612, 2016, A, . Location in patent: Paragraph 0028; 0039; 0040

Upstream Synthesis Route 2

• 7252-83-7
• 107-21-1

• 4360-63-8

Reference: [1] Synthetic Communications, 1993, vol. 23, # 14, p. 1935 - 1942

Upstream Synthesis Route 3

• 107-21-1
• 2032-35-1

• 4360-63-8

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995, # 14, p. 1825 - 1836

Upstream Synthesis Route 4

• 7252-83-7
• 107-21-1

• 4360-63-8

Reference: [1]Synthetic Communications,1993,vol. 23,p. 1935 - 1942
[2]Journal of Organic Chemistry,1995,vol. 60,p. 5729 - 5731
[3]Journal of the American Chemical Society,1948,vol. 70,p. 3781,3786
[4]Patent: CN105237538,2016,A .Location in patent: Paragraph 0055-0057
[5]Patent: US2439969,1946,
DRP/DRBP Org.Chem.,

Downstream Synthesis Route 1

• 4360-63-8

• 4362-23-6

Reference: [1]Synthetic Communications,1993,vol. 23,p. 1935 - 1942
[2]Organic Letters,2010,vol. 12,p. 4062 - 4065
[3]Journal of the American Chemical Society,1948,vol. 70,p. 3781,3786
[4]Journal of Organic Chemistry,1995,vol. 60,p. 5729 - 5731
[5]Tetrahedron,2003,vol. 59,p. 341 - 352

Downstream Synthesis Route 2

• 4360-63-8
• 27238-39-7

• 82152-99-6

Reference: [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 61 - 64

* For details of the synthesis route, please refer to the original source to ensure accuracy.