4-Bromo-1,8-naphthyridine

Basic Information

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CAS Number

54569-28-7

Molecular Formula

C8H5BrN2

Molecular Weight

209.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

311 ºC

Density

1.656

Flash Point

142 ºC

SMILES

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C1=CC2=C(C=CN=C2N=C1)Br

InChI

InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H

InChIKey

QYXNSNJTMIEAPG-UHFFFAOYSA-N

LogP

2.3922999999999996

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

HH8
MFCD11520860
4-Bromo-[1,8]naphthyridine
1,8-Naphthyridine, 4-bromo-
54569-28-7
CS-0055002
FT-0648624
DTXSID30497525
A7921
AKOS005136196
4-Bromo-1,8-naphthyridine
AB64248
J-514526
SCHEMBL1907362
AS-33181
QYXNSNJTMIEAPG-UHFFFAOYSA-N
AMY38545
4-bromanyl-1,8-naphthyridine
1,8-Naphthyridine,4-bromo
4-Brom-1,8-naphthyridin
4-bromo-1,8-naphthyridine

MDL Number

MFCD11520860

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Bromo-1,8-naphthyridine (CAS: 54569-28-7)?

4-Bromo-1,8-naphthyridine (CAS: 54569-28-7) is a crystalline solid with a molecular weight of approximately 245.03 g/mol. It has a melting point of 231-232°C and is slightly soluble in water. The compound shows good solubility in organic solvents like acetonitrile and dimethylformamide. It is known for its reactivity, particularly with nucleophiles, and displays significant electron-donating properties.

How is 4-Bromo-1,8-naphthyridine (CAS: 54569-28-7) typically synthesized?

4-Bromo-1,8-naphthyridine (CAS: 54569-28-7) is commonly synthesized via the bromination of 1,8-naphthyridine with N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction provides good yields and high selectivity, making it a feasible method for large-scale production.

What industries use 4-Bromo-1,8-naphthyridine (CAS: 54569-28-7)?

4-Bromo-1,8-naphthyridine (CAS: 54569-28-7) is primarily used in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of various organic compounds and is also used in the development of sensors and other specialized applications due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-1,8-naphthyridine (CAS: 54569-28-7)?

When handling 4-Bromo-1,8-naphthyridine (CAS: 54569-28-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately and handled according to the Material Safety Data Sheet (SDS).