6-Bromo-1(4H)-phthalazinone

Basic Information

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CAS Number

75884-70-7

Molecular Formula

C8H5BrN2O

Molecular Weight

225.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

347.6℃ at 760 mmHg

SMILES

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C1=CC2=C(C=C1Br)C=NNC2=O

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-3H,4H2

InChIKey

OCPFOIJXWGPQTJ-UHFFFAOYSA-N

LogP

2.0978999999999997

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

229

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1(2H)-PHTHALAZINONE, 6-BROMO-
PB34379
6-Bromo-2H-phthalazin-1-one;6-Bromophthalazin-1(2H)-one
6-bromophthalazinone
75884-70-7
AC-9505
QMONLZVJOOMKRW-UHFFFAOYSA-N
SCHEMBL396016
AKOS025117346
FT-0762136
6-bromophthalazine-1 (2H)-one
6-BROMOPHTHALAZIN-1(2H)-ONE
A838538
6-bromo-2H-phthalazin-1-one
W-60385
EN300-192438
DTXSID70468198
AKOS015834799
FS-3424
CS-W008890
Z1269112341
6-bromo-1,2-dihydrophthalazin-1-one
MFCD09264003
6-bromophthalazin-1-ol
6-Bromophthalazine-1(2H)-one
SY042287
6-Bromophthalazin-1(2H)-one
1(2H)-PHTHALAZINONE,6-BROMO-
6-Bromophthalazinone
KSC642C5D
6-bromanyl-2H-phthalazin-1-one

MDL Number

MFCD09264003

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7)?

6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7) is a crystalline solid with a molecular weight of approximately 215.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetic acid. Chemically, it is relatively stable but can undergo bromination reactions under certain conditions. It does not react readily with common reagents but may decompose at high temperatures.

How is 6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7) typically synthesized?

6-Bromo-1(4H)-phthalazinone is typically synthesized through bromination of phthalic anhydride using fuming sulfuric acid as a catalyst. The reaction is carried out under anhydrous conditions to achieve high selectivity and yield. The process requires precise control of temperature and concentration to avoid side reactions and ensure the desired product is formed.

What industries use 6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7)?

6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7) is used primarily in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various pharmaceutical compounds and can be incorporated into polymer formulations to enhance their properties. Additionally, it has applications in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7)?

When handling 6-Bromo-1(4H)-phthalazinone (CAS: 75884-70-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be properly washed down. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.