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Aromatic building blocks

MS-1845

Also known as 2-(3-Nitrobenzyl)isoindoline-1,3-dione, 2-[(3-nitrophenyl)methyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)methyl]-

CAS 21081-63-0Formula C15H10N2O4Molar mass 282.26 g/mol
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MS-1845 chemical structure, C15H10N2O4, CAS 21081-63-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21081-63-0
Formula
C15H10N2O4
Molar mass
282.26 g/mol
HS code
292519
Category
Aromatic building blocks

What is MS-1845?

Plain description, key identifiers and synonyms

MS-1845 is a chemical substance with the molecular formula C15H10N2O4 and a molar mass of 282.26 g/mol. Its CAS registry number is 21081-63-0. The IUPAC name is 2-[(3-nitrophenyl)methyl]isoindole-1,3-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3-nitrophenyl)methyl]isoindole-1,3-dione
CAS number
21081-63-0 CAS number cross-checked
Molecular formula
C15H10N2O4
InChIKey
SIMHDCASOMEHDY-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2O4/c18-14-12-6-1-2-7-13(12)15(19)16(14)9-10-4-3-5-11(8-10)17(20)21/h1-8H,9H2
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Synonyms

  • 2-(3-Nitrobenzyl)isoindoline-1,3-dione
  • 2-[(3-nitrophenyl)methyl]isoindole-1,3-dione
  • 1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)methyl]-
  • 2-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
  • 2-(3-Nitrobenzyl)-1H-isoindole-1,3(2H)-dione
  • N-(m-nitrobenzyl)-phthalimide
  • 2-(3-Nitrobenzyl)-1H-isoindole-1,3(2H)-dione #
  • 2-[(3-Nitrophenyl)methyl]-1H-isoindole-1,3(2H)-dione
  • (1H)Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)methyl]-

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
282.26 g/molcalc.
Exact mass
282.0641 Dacalc.
LogP (octanol/water)
2.39calc.
Topological polar surface area
80.52 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.07calc.
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=C1c2ccccc2C(=O)N1Cc1ccccc1

O=C1c2ccccc2C(=O)N1Cc1ccccc1

3 rings, 18 atoms, the Benzylphthalimide ring system.

251 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.

MS-1845 suppliers

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Where suppliers are based

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MS-1845 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 MS-1845 is traded under.

HS 2925.19Indicative HS code

Imides and their derivatives, salts thereof, other

World exports in 2024
$295M
+11.7% vs 2023, imports $348M
2019 to 2024
Top exporters
  1. China29.7%
  2. Japan22.7%
  3. United Kingdom10.0%
Top importers
  1. United States12.7%
  2. Brazil12.6%
  3. China10.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for MS-1845 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about MS-1845, based on the data on this page

What is MS-1845?

MS-1845 is a chemical substance with the molecular formula C15H10N2O4 and a molar mass of 282.26 g/mol. Its CAS registry number is 21081-63-0. The IUPAC name is 2-[(3-nitrophenyl)methyl]isoindole-1,3-dione.

What is the CAS number of MS-1845?

The CAS registry number of MS-1845 is 21081-63-0.

What is the molecular formula and weight of MS-1845?

The molecular formula of MS-1845 is C15H10N2O4 and its molar mass is 282.26 g/mol.

What is MS-1845 used for?

Known uses and roles of MS-1845 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is MS-1845 hazardous?

No GHS hazard classification for MS-1845 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 MS-1845?

MS-1845 is usually classified under HS code 292519 (Imides and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy MS-1845?

CompoundList lists 1 supplier of MS-1845 in Hungary. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of MS-1845?

Suppliers quote MS-1845 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 MS-1845

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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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