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Screening compounds

Isoimide

Also known as N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide, 3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one, 3-(4-bromophenyl)imino-4,5,6,7-tetrahydroisobenzofuran-1-one

CAS 65949-49-7Formula C14H12BrNO2Molar mass 306.16 g/mol
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Isoimide chemical structure, C14H12BrNO2, CAS 65949-49-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65949-49-7
Formula
C14H12BrNO2
Molar mass
306.16 g/mol
HS code
293220
Category
Screening compounds

What is Isoimide?

Plain description, key identifiers and synonyms

Isoimide is an organobromine compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
CAS number
65949-49-7 CAS number cross-checked
Molecular formula
C14H12BrNO2
InChIKey
VZUHQRBBQSLSHS-UHFFFAOYSA-N
InChI
InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h5-8H,1-4H2
SMILES (canonical and isomeric)
C1CCC2=C(C1)C(=NC3=CC=C(C=C3)Br)OC2=O

Synonyms

  • N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide
  • 3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
  • 3-(4-bromophenyl)imino-4,5,6,7-tetrahydroisobenzofuran-1-one
  • (3Z)-3-[(4-Bromophenyl)imino]-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
306.16 g/molcalc.
Exact mass
305.0051 Dacalc.
LogP (octanol/water)
3.91calc.
Topological polar surface area
38.66 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1OC(=Nc2ccccc2)C2=C1CCCC2

O=C1OC(=Nc2ccccc2)C2=C1CCCC2

3 rings, 17 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Isoimide suppliers

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Isoimide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isoimide is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isoimide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isoimide, based on the data on this page

What is Isoimide?

Isoimide is an organobromine compound.

What is the CAS number of Isoimide?

The CAS registry number of Isoimide is 65949-49-7.

What is the molecular formula and weight of Isoimide?

The molecular formula of Isoimide is C14H12BrNO2 and its molar mass is 306.16 g/mol.

What is Isoimide used for?

Known uses and roles of Isoimide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isoimide hazardous?

No GHS hazard classification for Isoimide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isoimide?

Isoimide is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoimide?

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What is the price of Isoimide?

Suppliers quote Isoimide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isoimide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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