3-(Bromomethyl)tetrahydro-2H-pyran

Basic Information

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CAS Number

116131-44-3

Molecular Formula

C6H11BrO

Molecular Weight

179.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

205 ºC

Flash Point

81 ºC

SMILES

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C1CC(COC1)CBr

InChI

InChI=1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2

InChIKey

ZLUWLWXZMXLDGO-UHFFFAOYSA-N

LogP

1.8079

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

65.5

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS009866010
F8889-0815
2H-Pyran, 3-(bromomethyl)tetrahydro
EN300-44032
3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN
3-bromomethyltetrahydropyran
SY042140
AS-34511
MFCD08235012
3-(bromomethyl)-tetrahydro-2H-pyran
116131-44-3
3-(bromomethyl)oxane
FT-0660724
SCHEMBL980407
CS-D0475
ZLUWLWXZMXLDGO-UHFFFAOYSA-N
PB14565
2H-pyran, 3-(bromomethyl)tetrahydro-
DTXSID30626974
A846664
AM20080110
3-(Bromomethyl)tetrahydro-2H-pyran
2H-Pyran,3-(bromomethyl)tetrahydro-
3-BroMoMethyl tetrahydropyran
PYRAN, 3-(BROMOMETHYL)TETRAHYDRO-
2H-Pyran, 3-(broMoMethyl)tetrahydro-
(R)-3-(Bromomethyl)tetrahydro-2H-pyran
(S)-3-(Bromomethyl)tetrahydro-2H-pyran
2659AA
RP24019

MDL Number

MFCD08235012

FAQ

What are the physical and chemical properties of 3-(Bromomethyl)tetrahydro-2H-pyran (CAS: 116131-44-3)?

3-(Bromomethyl)tetrahydro-2H-pyran is a colorless liquid with a molecular weight of 199.01 g/mol. It has a boiling point of 148-150°C and a melting point of -25°C. This compound is moderately soluble in water but highly soluble in organic solvents. It is reactive towards nucleophiles and can undergo substitution reactions.

How is 3-(Bromomethyl)tetrahydro-2H-pyran (CAS: 116131-44-3) typically synthesized?

3-(Bromomethyl)tetrahydro-2H-pyran is typically synthesized from tetrahydro-2H-pyran using N-bromosuccinimide (NBS) in the presence of a suitable organic solvent. The reaction involves bromination followed by migration of the bromine to the methylene group, yielding the desired product with high selectivity and yield.

What industries use 3-(Bromomethyl)tetrahydro-2H-pyran (CAS: 116131-44-3)?

3-(Bromomethyl)tetrahydro-2H-pyran is used in pharmaceuticals for the synthesis of bioactive molecules, in polymers as a monomer for functional polymers, and in sensors for detecting specific chemical species. It is also utilized in the production of semiconductors due to its stability and reactivity.

What precautions should be taken when handling 3-(Bromomethyl)tetrahydro-2H-pyran (CAS: 116131-44-3)?

When handling 3-(Bromomethyl)tetrahydro-2H-pyran, proper personal protective equipment (PPE) such as gloves and goggles should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.