2,5-Dibromophenyl isothiocyanate

• CAS: 98041-67-9
• Catalog Number: ACM98041679
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 2,5-Dibromophenyl isothiocyanate?

The molecular formula of 2,5-Dibromophenyl isothiocyanate is C7H3Br2NS.

What is the molecular weight of 2,5-Dibromophenyl isothiocyanate?

The molecular weight of 2,5-Dibromophenyl isothiocyanate is 292.98 g/mol.

What is the IUPAC name of 2,5-Dibromophenyl isothiocyanate?

The IUPAC name of 2,5-Dibromophenyl isothiocyanate is 1,4-dibromo-2-isothiocyanatobenzene.

What is the InChI code of 2,5-Dibromophenyl isothiocyanate?

The InChI code of 2,5-Dibromophenyl isothiocyanate is InChI=1S/C7H3Br2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H.

What is the InChIKey of 2,5-Dibromophenyl isothiocyanate?

The InChIKey of 2,5-Dibromophenyl isothiocyanate is JYMRVQQSUHKIST-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Dibromophenyl isothiocyanate?

The canonical SMILES of 2,5-Dibromophenyl isothiocyanate is C1=CC(=C(C=C1Br)N=C=S)Br.

What is the CAS number of 2,5-Dibromophenyl isothiocyanate?

The CAS number of 2,5-Dibromophenyl isothiocyanate is 98041-67-9.

What is the XLogP3-AA value of 2,5-Dibromophenyl isothiocyanate?

The XLogP3-AA value of 2,5-Dibromophenyl isothiocyanate is 4.7.

Is 2,5-Dibromophenyl isothiocyanate a canonicalized compound?

Yes, 2,5-Dibromophenyl isothiocyanate is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 463-71-8
• 3638-73-1

• 98041-67-9

Reference: [1]Dyson; George; Hunter
[Journal of the Chemical Society, 1927, p. 440]

Downstream Synthesis Route 1

• 3638-73-1
• 98041-67-9

• 876472-05-8

Reference: [1]Dyson; George; Hunter
[Journal of the Chemical Society, 1927, p. 440]

Downstream Synthesis Route 2

• 98041-67-9

• 854890-84-9

Reference: [1]Dyson; George; Hunter
[Journal of the Chemical Society, 1927, p. 440]

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