5,8-Dibromoisoquinoline

Basic Information

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CAS Number

81045-39-8

Molecular Formula

C9H5Br2N

Molecular Weight

286.95 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

363.7°C at 760 mmHg

SMILES

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C1=CC(=C2C=NC=CC2=C1Br)Br

InChI

InChI=1S/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H

InChIKey

KNBALCRXZUTMBP-UHFFFAOYSA-N

LogP

3.759800000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

163

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

SR-01000506848
5,8-(Dibromo)isoquinoline
AMY1655
CHEMBL2130516
5 pound not8-Dibromoisoquinoline
J-516570
5,8-Dibromo-isoquinoline
SY101563
A840026
MFCD03109888
KNBALCRXZUTMBP-UHFFFAOYSA-N
SR-01000506848-1
81045-39-8
5,8-dibromoisoquinoline
SMR001573993
AKOS000490699
NSC114747
Isoquinoline, 5,8-dibromo-
FT-0699015
NSC-114747
5,8-Dibromo isoquinoline
CS-W022282
MLS002706591
AH-262/34613052
DTXSID40297215
PS-7184
SCHEMBL244397
5,8-Dibromoisoquinoline
5,8-DibroMo-isoquinoline
5,8-Dibromisochinolin
Isoquinoline,5,8-dibromo-

MDL Number

MFCD03109888

Customs Code

2933499090

FAQ

What is 5,8-Dibromoisoquinoline (CAS: 81045-39-8)?

5,8-Dibromoisoquinoline is a chemical compound with the CAS number 81045-39-8. It is a brownish solid with a molecular formula of C9H5Br2N. This compound is characterized by its aromatic nature and bromine-containing structure, which gives it unique chemical properties.

What are the main uses of 5,8-Dibromoisoquinoline (CAS: 81045-39-8)?

5,8-Dibromoisoquinoline is primarily used in the pharmaceutical industry for drug synthesis, particularly as an intermediate. It is also utilized in research for its potential biological activities, though its applications are limited due to its toxicity and reactivity.

Is 5,8-Dibromoisoquinoline (CAS: 81045-39-8) safe?

5,8-Dibromoisoquinoline is not considered safe for general use due to its toxic and reactive nature. It is important to follow strict safety protocols, including appropriate handling, storage, and disposal. Protective measures such as gloves, goggles, and lab coats are recommended when handling this compound.

How should 5,8-Dibromoisoquinoline (CAS: 81045-39-8) be stored?

5,8-Dibromoisoquinoline should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed, corrosion-resistant container to prevent degradation. Ideal storage conditions include temperatures below 25°C and a maximum relative humidity of 50%.