2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

Basic Information

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CAS Number

5394-18-3

Molecular Formula

C12H12BrNO2

Molecular Weight

282.14 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78.0 to 82.0 deg-C

Boiling Point

381.3°C at 760 mmHg

Water Solubility

Soluble in ethanol. Insoluble in water.

Flash Point

165-170℃/1mm

Refractive Index

1.6320 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr

InChI

InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2

InChIKey

UXFWTIGUWHJKDD-UHFFFAOYSA-N

LogP

2.457700000000001

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

269

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-W018541
FT-0629207
2-(4-bromobutyl)-1h -isoindole-1,3(2h)-dione
STR07112
4-phathalimido bromobutane
NSC 575
N-(4bromobutyl)phthalimide
EINECS 226-401-2
DTXSID40202228
SB66090
B1394
NSC575
N-(4-bromo-butyl)phthalimide
n-(4-bromobutyl)-phthalimide
BP-12758
N-(4-Bromobutyl)phthalimide
A23178
N-(4-Bromobutyl)phthalimide, 98%
N-[4-(bromo)butyl]phthalimide
MFCD00005905
4-phthalimidobutyl bromide
N-(4-bromobutyl)phthalimid
AM20060911
2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione
N-(.omega.-Bromobutyl)phthalimide
EN300-16984
SR-01000035765
n-(4-bromobutyl) phthalimide
N-4-bromobutyl-phthalimide
2-(4-bromobutyl)isoindole-1,3(2H)dione
W-105692

MDL Number

MFCD00005905

Customs Code

29251995

FAQ

What is 2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS: 5394-18-3)?

2-(4-Bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione is a heterocyclic compound with a molecular formula of C12H12BrNO2. It is characterized by its isoindole structure containing a bromobutyl substituent.

What are the main uses of 2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS: 5394-18-3)?

This compound is primarily used in the synthesis of pharmaceuticals and as a precursor in organic chemistry research. It does not have widespread industrial or commercial applications but is valuable for its chemical properties.

Is 2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS: 5394-18-3) safe?

The compound is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Exposure to the compound may cause skin irritation and should be handled with care.

How should 2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS: 5394-18-3) be stored?

Store the compound in a cool, dry place, away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent degradation. The recommended temperature range is between 15-25°C, and humidity levels should be controlled to maintain stability. Ensure the container is labeled correctly and stored in a secure location, accessible only to authorized personnel.