N-Octylboronic acid

• CAS: 28741-08-4
• Catalog Number: ACM28741084
• Category: Boronic Acids
• Molecular Weight: 158.05
• Molecular Formula: C₈H₁₉BO₂
• Synonyms: Octylboronic acid, O4860G1, 28741-08-4
• IUPAC Name: octylboronic acid
• Canonical SMILES: B(CCCCCCCC)(O)O
• InChI Key: GKFRVXOKPXCXAK-UHFFFAOYSA-N
• Boiling Point: 262.6ºC at 760mmHg
• Melting Point: 78-81ºC
• Flash Point: 112.6ºC
• Density: 0.89g/cm³
• Appearance: White powder
• Exact Mass: 158.14800
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of N-Octylboronic acid?

The molecular formula of N-Octylboronic acid is C8H19BO2.

What is the molecular weight of N-Octylboronic acid?

The molecular weight of N-Octylboronic acid is 158.05 g/mol.

What is the IUPAC name of N-Octylboronic acid?

The IUPAC name of N-Octylboronic acid is octylboronic acid.

What is the InChI of N-Octylboronic acid?

The InChI of N-Octylboronic acid is InChI=1S/C8H19BO2/c1-2-3-4-5-6-7-8-9(10)11/h10-11H,2-8H2,1H3.

What is the InChIKey of N-Octylboronic acid?

The InChIKey of N-Octylboronic acid is GKFRVXOKPXCXAK-UHFFFAOYSA-N.

What is the canonical SMILES of N-Octylboronic acid?

The canonical SMILES of N-Octylboronic acid is B(CCCCCCCC)(O)O.

What is the CAS number of N-Octylboronic acid?

The CAS number of N-Octylboronic acid is 28741-08-4.

What is the European Community (EC) number of N-Octylboronic acid?

The European Community (EC) number of N-Octylboronic acid is 681-714-5.

What is the DSSTox Substance ID of N-Octylboronic acid?

The DSSTox Substance ID of N-Octylboronic acid is DTXSID10409368.

Is N-Octylboronic acid a canonicalized compound?

Yes, N-Octylboronic acid is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 111-83-1

• 28741-08-4

Reference: [1] Organic Letters, 2011, vol. 13, # 15, p. 3840 - 3843

Upstream Synthesis Route 2

• 329976-79-6

• 28741-08-4

Reference: [1] Journal of Organic Chemistry, 2009, vol. 74, # 19, p. 7364 - 7369

Upstream Synthesis Route 3

• 121-43-7
• 111-83-1

• 28741-08-4

Reference: [1] Chemical Communications, 2016, vol. 52, # 28, p. 4995 - 4998

Upstream Synthesis Route 4

• 3248-78-0

• 28741-08-4

Reference: [1]Justus Liebigs Annalen der Chemie,1958,vol. 618,p. 31,39

Downstream Synthesis Route 1

• 107-41-5
• 28741-08-4

• 10200-91-6

Reference: [1]Patent: US2710252,1954,

Downstream Synthesis Route 2

• 28741-08-4
• 1600-27-7

• 26674-66-8

Reference: [1]Acta Chemica Scandinavica (1947),1959,vol. 13,p. 115,116,118

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