6-Bromo-1-isoquinolinamine

Basic Information

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CAS Number

215453-26-2

Molecular Formula

C9H7BrN2

Molecular Weight

223.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

380.7°C at 760 mmHg

SMILES

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C1=CC2=C(C=CN=C2N)C=C1Br

InChI

InChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)

InChIKey

PZNNAAGLKCNZKE-UHFFFAOYSA-N

LogP

2.5795000000000003

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

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

SY033440
6-bromo-1-isoquinolinamine
6-bromoisoquinolin-1-amine
6-Bromoisoquinolin-1-amine, AldrichCPR
W-206646
215453-26-2
6-bromanylisoquinolin-1-amine
A815463
FS-2614
DTXSID40626864
AM20050949
AB39358
1-amino-6-bromoisoquinolin
PZNNAAGLKCNZKE-UHFFFAOYSA-N
6-Bromo-isoquinolin-1-ylamine
EN300-215654
MFCD07374395
SCHEMBL203405
1-Isoquinolinamine, 6-bromo-
CS-W006172
1-Amino-6-bromoisoquinoline
BB 0261381
FT-0647008
6-BROMOISOQUINOLIN-1-YLAMINE
AKOS015834786
6-Bromoisoquinolin-1-ylamine
1-ISOQUINOLINAMINE, 6-BROMO-
6-bromoisoquinolin-1-amine(1-amino-6-bromo isoquinoline)
6-bromo-Isoquinolin-1-ylamine
(6-bromoisoquinolin-1-yl)amine
6-bromoisoquinolylamine

MDL Number

MFCD07374395

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 6-Bromo-1-isoquinolinamine (CAS: 215453-26-2)?

6-Bromo-1-isoquinolinamine is a white to off-white crystalline solid with a molecular weight of approximately 217.03 g/mol. It is slightly soluble in water and ethanol, but more soluble in organic solvents like dichloromethane. This compound is moderately reactive, especially towards nucleophiles, making it useful in various chemical reactions. Its solubility and reactivity make it suitable for use in synthesis and medicinal chemistry applications.

How is 6-Bromo-1-isoquinolinamine (CAS: 215453-26-2) typically synthesized?

6-Bromo-1-isoquinolinamine is typically synthesized via a bromination reaction of 1-isoquinolineamine followed by amination. The reaction can be catalyzed by an appropriate catalyst and proceeds with good regioselectivity and yield. The process involves the use of bromine in the presence of a suitable base and solvent, ensuring high efficiency and purity of the final product.

What industries use 6-Bromo-1-isoquinolinamine (CAS: 215453-26-2)?

6-Bromo-1-isoquinolinamine is used in the pharmaceutical industry for synthesizing certain drug candidates. It is also utilized in the chemical industry for producing intermediates and in the sensor industry for developing gas detection devices. Its reactivity and specific functional groups make it a valuable compound in these sectors.

What precautions should be taken when handling 6-Bromo-1-isoquinolinamine (CAS: 215453-26-2)?

When handling 6-Bromo-1-isoquinolinamine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS).