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1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dione

1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dione

Name: 1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C10H4Cl3NO2

Molecular Weight:

276.5

CAS Number:

13167-25-4

Catalog Number:

13167-25-4

Product Information

Molecular Formula:

C10H4Cl3NO2

Molecular Weight:

276.5

Description

1-(2,4,6-Trichlorophenyl)-1H-pyrrole-2,5-dione, a quintessential synthetic intermediate pervasive in the pharmaceutical sector, predominantly contributes to the genesis of antifungal drugs. It is widely used in research against fungal diseases such as candidiasis and aspergillosis.

Synonyms

N-(2,4,6-TRICHLOROPHENYL)MALEIMIDE; 1-(2,4,6-trichlorophenyl)-1h-pyrrole-2,5-dione; N-(2,4,6-TRICHLOROPEHNYL)MALEIMIDE; 1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dioneor N-(2,4,6-trichlorophenyl)maleimide ; IT-354; 1-(2,4,6-trichlorophenyl)-3-pyrroline-2,5-qu

IUPAC Name

1-(2,4,6-trichlorophenyl)pyrrole-2,5-dione

Canonical SMILES

C1=CC(=O)N(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

InChI Key

VHZJMAJCUAWIHV-UHFFFAOYSA-N

Boiling Point

400.3°C at 760 mmHg

Melting Point

134°C

Purity

>98.0%(LC)

Density

1.664 g/cm3

Appearance

White to Slight yellow Crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

274.930761 g/mol

Monoisotopic Mass

274.930761 g/mol

Topological Polar Surface Area

37.4Å²

Heavy Atom Count

Formal Charge

Complexity

328

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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