Ethyl 2-bromoisonicotinate

Basic Information

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CAS Number

89978-52-9

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

282.9℃ at 760 mmHg

SMILES

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CCOC(=O)C1=CC(=NC=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3

InChIKey

SBNQZJXLQLUESH-UHFFFAOYSA-N

LogP

2.0208

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

163

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 2-bromoisonicotinate
2-Bromopyridine-4-carboxylic acid ethyl ester
4-Pyridinecarboxylicacid, 2-bromo-, ethyl ester
ethyl 2-bromopyridine-4-carboxylate
ETHYL-2-BROMOISONICOTINATE
ETHYL2-BROMOISONICOTINATE
4-Pyridinecarboxylic acid, 2-bromo-, ethyl ester
2-bromoisonicotinic acid ethyl ester
2-bromo-isonicotinic acid ethyl ester
PubChem15173
2-BROMOPYRIDINE-4-CARBOXYLICACIDETHYLESTER
KSC498A9T
SBNQZJXLQLUESH-UHFFFAOYSA-N
ethyl 2-bromo-4-pyridinecarboxylate
Isonicotinic acid, 2-bromo-, ethyl ester (7CI)
2-Bromo-4-pyridinecarboxylic acid ethyl ester
2-Bromoisonicotinic acid ethyl ester
Ethyl 2-bromo-4-pyridinecarboxylate
AKOS015834212
DB-004034
Ethyl 2-bromopyridine-4-carboxylate
SCHEMBL188125
89978-52-9
SY021898
DTXSID60397266
J-400945
TS-03274
MFCD06205252
2-bromo-4-pyridinecarboxylic acid ethyl ester
Ethyl 2-bromoisonicotinate, AldrichCPR
AC-24954

MDL Number

MFCD06205252

Customs Code

2933399090

FAQ

What is Ethyl 2-bromoisonicotinate (CAS: 89978-52-9)?

Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) is an organic compound with the molecular formula C8H7BrN2O2. It is a colorless or white crystalline solid with a pungent odor. This compound is highly reactive and used in various chemical syntheses and pharmaceutical applications.

What are the main uses of Ethyl 2-bromoisonicotinate (CAS: 89978-52-9)?

Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-tumor agents. It also serves as a reagent in organic chemistry for halogenation reactions.

Is Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) safe?

Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) is not considered safe for direct contact with skin or inhalation due to its reactive nature. It is flammable and may cause irritation if inhaled or contacted with the eyes or skin. Proper protective equipment and handling procedures are essential.

How should Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) be stored?

Ethyl 2-bromoisonicotinate (CAS: 89978-52-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent decomposition and contamination. Store it in a well-ventilated area, and avoid contact with oxidizing agents or reductants.