Methyl 5-bromopentanoate

Basic Information

View in Editor

CAS Number

5454-83-1

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

89°C/8mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.463(lit.)

SMILES

View in Editor

COC(=O)CCCCBr

InChI

InChI=1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

InChIKey

RAVVJKCSZXAIQP-UHFFFAOYSA-N

LogP

1.7246

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

83.1

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DTXSID4063907
Pentanoic acid, 5-bromo-, methyl ester
5-bromo-pentanoic acid methyl ester
5454-83-1
?Methyl 5-bromovalerate
Methyl 5-bromovalerate
AM20120637
5-bromopentanoic acid methyl ester
SY013898
CS-W022866
M2265
FT-0620183
Methyl 5-bromovalerate, 97%
NSC-23228
Valeric acid, 5-bromo-, methyl ester
Methyl omega-bromopentanoate
EN300-51445
Methyl .omega.-bromopentanoate
Br(CH2)4C(O)OCH3
SCHEMBL207773
NS00033124
methyl-5-bromovalerate
RAVVJKCSZXAIQP-UHFFFAOYSA-
InChI=1/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3
EINECS 226-709-7
Methyl 5-bromopentanoate
AS-15624
methyl 5-bromo-valerate
Methyl ?-bromopentanoate
MFCD00000265
NSC23228

MDL Number

MFCD00000265

Customs Code

29159080

FAQ

What is Methyl 5-bromopentanoate (CAS: 5454-83-1)?

Methyl 5-bromopentanoate is an organic compound with the chemical formula C6H11BrO2. It is a colorless liquid with a characteristic odor. This compound is used in the synthesis of various pharmaceuticals and as a reagent in organic chemistry.

What are the main uses of Methyl 5-bromopentanoate (CAS: 5454-83-1)?

Methyl 5-bromopentanoate is primarily used as a building block in the synthesis of pharmaceuticals, particularly in the production of certain anti-inflammatory and analgesic drugs. It is also utilized in research for its reactive bromine substituent.

Is Methyl 5-bromopentanoate (CAS: 5454-83-1) safe?

Methyl 5-bromopentanoate is generally safe when handled with appropriate precautions. It is classified as a moderately hazardous substance due to its bromine content. It should be stored in a cool, dry place away from sources of heat and ignition. Protective gloves and safety glasses should be worn during handling.

How should Methyl 5-bromopentanoate (CAS: 5454-83-1) be stored?

Methyl 5-bromopentanoate should be stored in a cool, dry place at room temperature (15-25°C) and protected from direct sunlight. It should be kept in a tightly sealed container to prevent evaporation and contamination. The container should be labeled and stored away from incompatible materials, such as strong acids and bases.