6-Bromo-1-isoindolinone

Basic Information

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CAS Number

675109-26-9

Molecular Formula

C8H6BrNO

Molecular Weight

212.05 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

Melting Point

270-276°C

Boiling Point

431°C at 760 mmHg

Density

1.666

Flash Point

214.881℃

Refractive Index

1.625

SMILES

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C1C2=C(C=C(C=C2)Br)C(=O)N1

InChI

InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)

InChIKey

HYTCKZQYVIURAW-UHFFFAOYSA-N

LogP

1.6925

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

183

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

MFCD11848599
HYTCKZQYVIURAW-UHFFFAOYSA-N
DTXSID50623521
EN300-107984
A9041
SCHEMBL391991
AM20040995
J-518315
PB29879
SS-6039
AKOS015898903
6-bromo-2,3-dihydro-1H-isoindol-1-one
BCP27152
FT-0660821
SY017598
675109-26-9
6-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE
6-Bromo-2,3-dihydroisoindolin-1-one
1H-ISOINDOL-1-ONE, 6-BROMO-2,3-DIHYDRO-
6-bromo-2,3-dihydroisoindol-1-one
CS-W000036
Z1269144955
6-bromoisoindolin-1-one
6-Bromoisoindolin-1-one
6-bromo-2,3-dihydro-1H-Isoindol-1-one

MDL Number

MFCD11848599

Customs Code

2933790090

FAQ

What regulatory guidelines apply to 6-Bromo-1-isoindolinone (CAS: 675109-26-9)?

6-Bromo-1-isoindolinone (CAS: 675109-26-9) is subject to various regulatory guidelines such as the REACH regulations in the EU, which require registration of substances above a certain tonnage threshold. Additionally, the GHS classification system may be applicable for labeling and safety data sheets. In the USA, the FDA and EPA may have specific requirements for the handling and disposal of this compound.

Are there alternatives to 6-Bromo-1-isoindolinone (CAS: 675109-26-9) in synthesis?

Several alternatives to 6-Bromo-1-isoindolinone (CAS: 675109-26-9) can be used in synthesis, such as 6-chloro-1-isoindolinone or 6-iodo-1-isoindolinone, depending on the specific application. Other substitutes might include simpler isoindolinones or related heterocyclic compounds that can serve similar functions in organic synthesis.

What is the market or research trend for 6-Bromo-1-isoindolinone (CAS: 675109-26-9)?

The market for 6-Bromo-1-isoindolinone (CAS: 675109-26-9) is driven by its use in pharmaceutical and agrochemical applications. Research trends include the development of new synthetic routes and the exploration of its potential in drug discovery and pesticidal activities. The compound's unique bromine substituent makes it an interesting target for further exploration in various fields.

How should waste containing 6-Bromo-1-isoindolinone (CAS: 675109-26-9) be handled?

Waste containing 6-Bromo-1-isoindolinone (CAS: 675109-26-9) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be done in a manner that complies with environmental regulations. Proper precautions include ensuring the waste is neutralized before disposal and that all safety measures are followed to prevent environmental contamination.