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3-Bromo-tetrahydro-pyran, with the molecular formula C5H9BrO, is a colorless liquid chemical compound characterized by a sweet, fruity odor. It serves as a versatile intermediate in the synthesis of a variety of organic molecules, including pharmaceuticals and agrochemicals, due to its unique chemical structure and reactivity.

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  • 13047-01-3 Structure
  • Basic information

    1. Product Name: 3-BROMO-TETRAHYDRO-PYRAN
    2. Synonyms: 3-BROMO-TETRAHYDRO-PYRAN;3-bromotetrahydro-2H-pyran(SALTDATA: FREE);2H-Pyran,3-broMotetrahydro-
    3. CAS NO:13047-01-3
    4. Molecular Formula: C5H9BrO
    5. Molecular Weight: 165.03
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 13047-01-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 178 °C at 760 mmHg
    3. Flash Point: 69.2 °C
    4. Appearance: /
    5. Density: 1.475 g/cm3
    6. Vapor Pressure: 1.37mmHg at 25°C
    7. Refractive Index: 1.491
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-BROMO-TETRAHYDRO-PYRAN(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-BROMO-TETRAHYDRO-PYRAN(13047-01-3)
    12. EPA Substance Registry System: 3-BROMO-TETRAHYDRO-PYRAN(13047-01-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13047-01-3(Hazardous Substances Data)

13047-01-3 Usage

Uses

Used in Pharmaceutical Industry:
3-BROMO-TETRAHYDRO-PYRAN is used as a synthetic intermediate for the production of various pharmaceutical compounds. Its unique structure allows for the creation of new drug molecules with potential therapeutic applications.
Used in Agrochemical Industry:
3-BROMO-TETRAHYDRO-PYRAN is used as a building block in the synthesis of agrochemicals, contributing to the development of new pesticides and other agricultural chemicals that can improve crop protection and yield.
Used in Organic Synthesis:
3-BROMO-TETRAHYDRO-PYRAN is used as a key component in the synthesis of a wide range of organic molecules. Its reactivity and functional groups make it a valuable precursor for the development of new chemical entities with diverse applications.
Safety Precautions:
It is important to handle 3-Bromo-tetrahydro-pyran with care, as it may cause irritation to the skin, eyes, and respiratory system. Proper safety measures, including the use of personal protective equipment and adherence to safe handling and storage protocols, should be followed to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 13047-01-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,4 and 7 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 13047-01:
(7*1)+(6*3)+(5*0)+(4*4)+(3*7)+(2*0)+(1*1)=63
63 % 10 = 3
So 13047-01-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H9BrO/c6-5-2-1-3-7-4-5/h5H,1-4H2

13047-01-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-tetrahydropyran

1.2 Other means of identification

Product number -
Other names 3-bromooxane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13047-01-3 SDS

13047-01-3Relevant articles and documents

Synthesis, structural characterization and catalytic activity of a multifunctional enzyme mimetic oxoperoxovanadium(v) complex

Si, Tapan K.,Paul, Shiv S.,Drew, Michael G. B.,Mukherjea, Kalyan K.

scheme or table, p. 5805 - 5815 (2012/06/15)

The synthesis and structural characterization of a novel oxoperoxovanadium(v) complex [VO(O2)(PAH)(phen)] containing the ligands 2-phenylacetohydroxamic acid (PAHH) and 1,10-phenanthroline (phen) has been accomplished. The oxoperoxovanadium(v) complex was found to mimic both vanadate-dependent haloperoxidase (VHPO) activity as well as nuclease activity through effective interaction with DNA. The complex is the first example of a structurally characterized stable oxoperoxovanadium(v) complex with a coordinated bi-dentate hydroximate moiety (-CONHO-) from 2-phenylacetohydroximate (PAH). The oxoperoxovanadium(v) complex has been used as catalyst for the peroxidative bromination reaction of some unsaturated alcohols (e.g. 4-pentene-1-ol, 1-octene-3-ol and 9-decene-1-ol) in the presence of H2O2 and KBr. The catalytic products have been characterized by GC-MS analysis and spectrophotometric methods. The DNA binding of this complex has been established with CT DNA whereas the DNA cleavage was demonstrated with plasmid DNA. The interactions of the complex with DNA have been monitored by electronic absorption and fluorescence emission spectroscopy. Viscometric measurements suggest that the compound is a DNA intercalator. The nuclease activity of this complex was confirmed by gel electrophoresis studies.

5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION

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Page 214, (2008/06/13)

This invention relates to compounds of formula (I).

β-Halogeno Ether Synthesis of Olefinic Alcohols: Stereochemistry and Conformation of 2-Substituted 3-Halogenotetrahydro-pyran and furan Precursors

Crombie, Leslie,Wyvill, Robert D.

, p. 1971 - 1982 (2007/10/02)

Ring-scission of cis- or trans-2-alkyl- (or aryl-) 3-chlorotetrahydropyrans proceeds regioselectively and highly stereoselectively to give (E)-alk-4-en-1-ols, but in the parallel tetrahydrofuran series (Z)-/(E)-mixtures, dependent on percursor geometry, are formed.In this paper the stereochemistry and conformation of the tetrahydro-pyran and - furan precursors are considered.The cis/trans-composition of 2,3-dihalogenotetrahydro-pyrans and-furans made by various routes is reported.Reaction with Grignard reagents gives separable cis-/trans-mixtures the stereoisomeric composition of which, in the cases examined, does not depend on the stereoisomeric composition of the dihalide, but does vary with the halogen and the composition of the Grignard or dialkylmagnesium; possible reasons are discussed.The stereochemistry and conformation of the 2-alkyl- (or aryl-)3-chlorotetrahydropyrans is analysed by n.m.r. methods (J2a,3acis ca. 1.5 Hz; J2a,3atrans ca. 9.8 Hz) but assignments for the two tetrahydrofuran series with J2,3 2.6-3.6 and 4.3-5.9 are made uncertain by pseudorotation.The stereochemical identity of the two series is rigorously proved by isolation of cis- and trans-2-allyl-3-chlorotetrahydrofuran.On the one hand the former is hydrogenated to the cis-2-propyl compound, correlated with other members of the alkyl series, but on the other it is oxidised and the acid is converted into the cis-p-bromophenyl ester.The stereochemistry and conformation of the latter is rigorously demonstrated by an X-ray structure.The stereochemistries and conformations of the 2-deuterio- and 2-methoxy-3-chlorotetrahydropyrans are discussed, and consideration is then extended to the 2-alkyl-3-chloro-2-methyltetrahydro-pyran and -furan series.

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