What is the molecular formula of 1-Bromotridecane?

The molecular formula of 1-Bromotridecane is C13H27Br.

What is the molecular weight of 1-Bromotridecane?

The molecular weight of 1-Bromotridecane is 263.26 g/mol.

What is the IUPAC name of 1-Bromotridecane?

The IUPAC name of 1-Bromotridecane is 1-bromotridecane.

What is the InChI of 1-Bromotridecane?

The InChI of 1-Bromotridecane is InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3.

What is the InChIKey of 1-Bromotridecane?

The InChIKey of 1-Bromotridecane is BFDNZQUBFCYTIC-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromotridecane?

The canonical SMILES of 1-Bromotridecane is CCCCCCCCCCCCCBr.

What is the CAS number of 1-Bromotridecane?

The CAS number of 1-Bromotridecane is 765-09-3.

What is the European Community (EC) number of 1-Bromotridecane?

The European Community (EC) number of 1-Bromotridecane is 212-138-0.

What is the ChEMBL ID of 1-Bromotridecane?

The ChEMBL ID of 1-Bromotridecane is CHEMBL3183299.

Is 1-Bromotridecane a canonicalized compound?

Yes, 1-Bromotridecane is a canonicalized compound according to PubChem.

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1-Bromotridecane

Name: 1-Bromotridecane
SKU: ACM765093-1
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Catalog NumberACM765093-1

CAS Number765-09-3

CategorySolubility Enhancing Reagents; Solubilizer

Synonyms

1-Bromotridecane;

IUPAC Name

1-bromotridecane

Molecular Weight

263.26

Molecular Formula

C₁₃H₂₇Br

Canonical SMILES

CCCCCCCCCCCCCBr

InChI Key

BFDNZQUBFCYTIC-UHFFFAOYSA-N

Boiling Point

148-150ºC (10 mmHg)

Melting Point

41736ºC

Flash Point

110ºC

Purity

96%

Density

1.03

Appearance

light yellow liquid

Application

1-Bromotridecane is a light yellow liquid that serves multiple purposes, primarily characterized by its role as a long-chain alkyl bromide with skin sensitization properties. It has the potential to enhance plant stimulator activity, making it valuable in agricultural applications. Additionally, 1-Bromotridecane is utilized in various chemical syntheses, including the creation of complex compounds like 13C enriched tetradecanoic acid at specific carbons, (Z)-7-henicosene, pentadecanal, and (Z)-(2'R)-[N-carboethoxypyrrolidine]tetradec-1-ene. Furthermore, it is instrumental in the synthesis of octaalkyloxytetrabenzo[a,d,g,jlcyclododecatetraenes (CTTV-n), with n representing 4-15 methylenic units in the alkyloxy groups, and is used in coupling reactions, such as between the dilithio-derivative of propargyl alcohol and 1-bromotridecane in liquid ammonia, resulting in the formation of 2-hexadecyne-1-ol.

EC Number

212-138-0

Exact Mass

262.13000

Hazard Statements

H315-H319-H335

Safety Description

S26-S39

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

WGK Germany

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