Ethyl 7-bromoheptanoate

Basic Information

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CAS Number

29823-18-5

Molecular Formula

C9H17BrO2

Molecular Weight

237.14 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

Melting Point

29 °C

Boiling Point

112 °C/5 mmHg

Refractive Index

n20/D 1.459(lit.)

SMILES

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CCOC(=O)CCCCCCBr

InChI

InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

InChIKey

OOBFNDGMAGSNKA-UHFFFAOYSA-N

LogP

2.8949000000000016

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

115

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD00037103
Tianeptine Sodium Imp. A (EP); Tianeptine Imp. A (EP); 7-Bromoheptanoic acid ethyl ester; Ethyl 7-bromoheptanoate; Tianeptine Sodium Impurity A; Tianeptine Impurity A
EN300-152893
OOBFNDGMAGSNKA-UHFFFAOYSA-
Heptanoic acid, 7-bromo-, ethyl ester
EINECS 249-883-6
W-110766
29823-18-5
Br(CH2)6COOEt
CS-W008245
SY009331
DTXSID80183961
NS00004722
ETHYL-7-BROMOHEPTANOATE
C9H17BrO2
7-Bromoheptanoic Acid Ethyl Ester
F11933
Tianeptine impurity A
FT-0621368
A820066
BCP15664
AI3-36604
EC 249-883-6
ethyl 7-bromo-heptanoate
OOBFNDGMAGSNKA-UHFFFAOYSA-N
UNII-M5QR4GAP1S
7-bromo-heptanoic acid ethyl ester
HY-W008245
Ethyl 7-bromoheptanoate, 97%
Tianeptine impurity A, European Pharmacopoeia (EP) Reference Standard
M5QR4GAP1S

MDL Number

MFCD00037103

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 7-bromoheptanoate (CAS: 29823-18-5)?

Ethyl 7-bromoheptanoate (CAS: 29823-18-5) falls under various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations for industrial use, and FDA/EPA requirements for safety and environmental protection. It is classified as a hazardous substance due to its bromine content and requires proper handling and disposal.

Are there alternatives to Ethyl 7-bromoheptanoate (CAS: 29823-18-5) in synthesis?

There are several alternatives to Ethyl 7-bromoheptanoate (CAS: 29823-18-5) in synthesis, including other 7-bromo fatty acids such as 7-bromooctanoic acid, or substituting bromine with other halogens like chlorine or iodine. Common reagents like ethyl bromoacetate or ethyl chloroacetate can also serve as viable alternatives.

What is the market or research trend for Ethyl 7-bromoheptanoate (CAS: 29823-18-5)?

The market for Ethyl 7-bromoheptanoate (CAS: 29823-18-5) is influenced by its use in synthetic chemistry and pharmaceutical research. Recent trends show growing interest in its applications in drug discovery and development, particularly in the treatment of inflammatory diseases. Research is focusing on its potential as an intermediate in bioactive compound synthesis.

How should waste containing Ethyl 7-bromoheptanoate (CAS: 29823-18-5) be handled?

Waste containing Ethyl 7-bromoheptanoate (CAS: 29823-18-5) should be managed carefully due to its hazardous properties. It should be collected in appropriate containers, labeled, and stored in a secure location. Proper waste disposal methods include incineration or professional waste disposal services that adhere to environmental regulations. Handling should be done by trained personnel to ensure safety.