3-Benzyl-6-bromo-2-chloroquinoline

Basic Information

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CAS Number

654655-68-2

Molecular Formula

C16H11BrClN

Molecular Weight

332.63 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

Melting Point

111-112℃

Boiling Point

435.9±40.0°C at 760 mmHg

SMILES

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C1=CC=C(C=C1)CC2=C(N=C3C=CC(=CC3=C2)Br)Cl

InChI

InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2

InChIKey

UGXUDVNBDYIJHJ-UHFFFAOYSA-N

LogP

5.241500000000003

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

293

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

A867666
3-Benzyl-6-bromo-2-chloroquinoline
AMY31393
BCP08896
3-Benzyl-6-bromo-2-chloro-quinoline
3-Benzyl-6-bromo-2-chloro-quinolin
DS-17451
654655-68-2
N10712
UGXUDVNBDYIJHJ-UHFFFAOYSA-N
AKOS016003560
CS-0009938
6-Bromo-2-chloro-3-(phenylmethyl)quinoline
C16H11BrClN
DTXSID70726806
MFCD22493487
3-Benzyl-6-bromo-2-chloro quinolin
SCHEMBL3250496
Quinoline, 6-bromo-2-chloro-3-(phenylmethyl)-
: 3-benzyl-6-bromo-2-chloroquinoline
3-benzyl-6-bromo-2-chloro-quinoline
6-bromo-2-chloro-3-(phenylmethyl)-quinoline
Quinoline,6-bromo-2-chloro-3-(phenylmethyl)
AX8219454
Y1234

MDL Number

MFCD22493487

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2)?

3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) should comply with GHS classification, particularly as a hazardous chemical due to its bromine and chlorine content. It is subject to REACH regulations for the identification of substances of very high concern (SVHC). FDA and EPA have specific requirements for handling, storage, and disposal due to its potential environmental and health impacts.

Are there alternatives to 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) in synthesis?

Alternatives to 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) include other quinoline derivatives with different substituents, such as 3-benzyl-2-chloroquinoline or 3-benzyl-6-iodo-2-chloroquinoline. These can serve similar purposes in certain synthetic routes, depending on the desired properties and reactivity.

What is the market or research trend for 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2)?

The market for 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as an antimicrobial agent and as a precursor for other organic compounds. Market demand is influenced by regulatory changes and environmental concerns regarding its use.

How should waste containing 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) be handled?

Waste containing 3-Benzyl-6-bromo-2-chloroquinoline (CAS: 654655-68-2) should be collected in sealed containers and handled with appropriate personal protective equipment. Incineration or professional waste disposal services are recommended for safe disposal. Ensure proper environmental protection measures are in place to prevent contamination of soil and water sources.