Structure

Ethylboronic acid

CAS
4433-63-0
Catalog Number
ACM4433630
Category
Boronic Acids
Molecular Weight
73.89
Molecular Formula
C2H7BO2

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Specification

Synonyms
ETHYLBORONIC ACID;RARECHEM AH PB 0253;Boronic acid, ethyl-;Ethaneboronic acid;Ethylboronicacid,98%;Ethylboronic;ethylboric acid;ethyl borondihydroxide
IUPAC Name
ethylboronic acid
Canonical SMILES
B(CC)(O)O
InChI Key
PAVZHTXVORCEHP-UHFFFAOYSA-N
Boiling Point
154ºCat760mmHg
Melting Point
161-162ºC
Flash Point
47ºC
Density
0.941g/cm³
Appearance
white to slightly yellow crystalline powder
Exact Mass
74.05390
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
2
H-Bond Donor
2
Safety Description
S26-S37/39
What is the molecular formula of Ethylboronic acid?

The molecular formula of Ethylboronic acid is C2H7BO2.

What is the molecular weight of Ethylboronic acid?

The molecular weight of Ethylboronic acid is 73.89 g/mol.

What is the IUPAC name of Ethylboronic acid?

The IUPAC name of Ethylboronic acid is ethylboronic acid.

What is the InChI of Ethylboronic acid?

The InChI of Ethylboronic acid is InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3.

What is the InChIKey of Ethylboronic acid?

The InChIKey of Ethylboronic acid is PAVZHTXVORCEHP-UHFFFAOYSA-N.

What is the canonical SMILES of Ethylboronic acid?

The canonical SMILES of Ethylboronic acid is B(CC)(O)O.

What is the CAS number of Ethylboronic acid?

The CAS number of Ethylboronic acid is 4433-63-0.

What is the European Community (EC) number of Ethylboronic acid?

The European Community (EC) number of Ethylboronic acid is 670-253-5.

What is the ChEMBL ID of Ethylboronic acid?

The ChEMBL ID of Ethylboronic acid is CHEMBL3218995.

Upstream Synthesis Route 1

  • 16924-34-8
  • 4433-63-0
  • 11113-50-1

Reference: [1] Journal of the American Chemical Society, 1936, vol. 58, p. 407
[2] , Gmelin Handbook: B: B-Verb.14, 5, page 201 - 212,

Upstream Synthesis Route 2

  • 62133-36-2
  • 4426-31-7
  • 4433-63-0

Reference: [1] Journal of the American Chemical Society, 1936, vol. 58, p. 407
[2] , Gmelin Handbook: B: B-Verb.14, 5, page 201 - 212,

Upstream Synthesis Route 3

  • 3043-60-5
  • 4433-63-0

Reference: [1] Journal of the American Chemical Society, 1957, vol. 79, p. 5179

Downstream Synthesis Route 1

  • 4433-63-0
  • 6630-33-7
  • 22927-13-5

Reference: [1]Tetrahedron,2004,vol. 60,p. 3813 - 3818

Downstream Synthesis Route 2

  • 98592-34-8
  • 4433-63-0
  • 935260-96-1

Reference: [1]Patent: WO2005/123050,2005,A2 .Location in patent: Page/Page column 163

Downstream Synthesis Route 3

  • 4433-63-0
  • 161957-61-5
  • 881401-77-0

Reference: [1]Patent: US2008/76771,2008,A1 .Location in patent: Page/Page column 18

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

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