1,3-Bis(bromomethyl)benzene

• CAS: 626-15-3
• Catalog Number: ACM626153
• Category: Bromine Series
• Molecular Weight: 263.96
• Molecular Formula: C₈H₈Br₂
• Synonyms: 1,3-bis(bromomethyl)-benzen;a,a-m-Xylene dibromide;alpha,alpha-Dibromo-meta-xylene;benzene,1,3-bis(bromomethyl)-;m-(Bromomethyl)benzyl bromide;m-alpha,alpha-Dibromoxylene;m-Bis(bromomethyl)benzene;m-Xylene, a,a-dibromo-
• Boiling Point: 135-140°C20mm Hg(lit.)
• Melting Point: 74-77°C(lit.)
• Hazard Statements: Xi
• RIDADR: UN 2811 6.1 / PGIII
• Safety Description: 26-36/37
• Supplemental Hazard Statements: H315-H319-H334-H335-H318-H290-H314-H330
• Symbol: GHS07,GHS08,GHS05,GHS06

Custom Q&A

What is the molecular formula of 1,3-Bis(bromomethyl)benzene?

The molecular formula of 1,3-Bis(bromomethyl)benzene is C8H8Br2.

What is the molecular weight of 1,3-Bis(bromomethyl)benzene?

The molecular weight of 1,3-Bis(bromomethyl)benzene is 263.96 g/mol.

What is the IUPAC name of 1,3-Bis(bromomethyl)benzene?

The IUPAC name of 1,3-Bis(bromomethyl)benzene is 1,3-bis(bromomethyl)benzene.

What is the InChI of 1,3-Bis(bromomethyl)benzene?

The InChI of 1,3-Bis(bromomethyl)benzene is InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2.

What is the InChIKey of 1,3-Bis(bromomethyl)benzene?

The InChIKey of 1,3-Bis(bromomethyl)benzene is OXHOPZLBSSTTBU-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Bis(bromomethyl)benzene?

The canonical SMILES of 1,3-Bis(bromomethyl)benzene is C1=CC(=CC(=C1)CBr)CBr.

What is the CAS number of 1,3-Bis(bromomethyl)benzene?

The CAS number of 1,3-Bis(bromomethyl)benzene is 626-15-3.

How many hydrogen bond donor counts does 1,3-Bis(bromomethyl)benzene have?

1,3-Bis(bromomethyl)benzene has 0 hydrogen bond donor counts.

How many rotatable bond counts does 1,3-Bis(bromomethyl)benzene have?

1,3-Bis(bromomethyl)benzene has 2 rotatable bond counts.

Is 1,3-Bis(bromomethyl)benzene a canonicalized compound?

Yes, 1,3-Bis(bromomethyl)benzene is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 108-38-3

• 626-15-3

Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 6, p. 929 - 931

Upstream Synthesis Route 2

• 108-38-3

• 620-13-3
• 626-15-3

Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 40, p. 7245 - 7247

Upstream Synthesis Route 3

• 626-18-6

• 626-15-3

Reference: [1] Synthetic Communications, 2004, vol. 34, # 16, p. 2959 - 2963
[2] Annales de Chimie (Cachan, France), 1885, vol. <6> 6, p. 106

Downstream Synthesis Route 1

• 626-15-3

• 626-19-7

Reference: [1]Halfpaap
[Chemische Berichte, 1903, vol. 36, p. 1677]

Downstream Synthesis Route 2

• 1852-17-1
• 626-15-3

• 116073-85-9

Reference: [1]Ariyoshi, Kimio; Aso, Yoshio; Otsubo, Tetsuo; Ogura, Fumio
[Chemistry Letters, 1984, p. 891 - 892]
[2]Wei, Jianping; Li, Fangmei; Xu, Junhui; Peng, Xinhua
[Australian Journal of Chemistry, 2015, vol. 68, # 6, p. 919 - 925]
[3]Jennings
[Journal of the Chemical Society, 1957, p. 1172,1174]
[4]Feely et al.
[Journal of Organic Chemistry, 1957, vol. 22, p. 1135]

Downstream Synthesis Route 3

• 4314-66-3
• 626-15-3

• 82352-77-0

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1988,p. 13 - 22

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