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Aromatic building blocks

MI 658

Also known as P.I. 658, 3-Azido-2-benzoyloxy-5-hydroxycyclohexanone, Cyclohexanone, 3-azido-2-(benzoyloxy)-5-hydroxy-, (2S-(2alpha,3beta,5alpha))-

CAS 90146-07-9Formula C13H13N3O4Molar mass 275.26 g/mol
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MI 658 chemical structure, C13H13N3O4, CAS 90146-07-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90146-07-9
Formula
C13H13N3O4
Molar mass
275.26 g/mol
HS code
291631
Category
Aromatic building blocks

What is MI 658?

Plain description, key identifiers and synonyms

MI 658 is a chemical substance with the molecular formula C13H13N3O4 and a molar mass of 275.26 g/mol. Its CAS registry number is 90146-07-9. The IUPAC name is [(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
CAS number
90146-07-9 CAS number cross-checked
Molecular formula
C13H13N3O4
InChIKey
QETWIHYFLBMVCZ-FOGDFJRCSA-N
InChI
InChI=1S/C13H13N3O4/c14-16-15-10-6-9(17)7-11(18)12(10)20-13(19)8-4-2-1-3-5-8/h1-5,9-10,12,17H,6-7H2/t9-,10-,12+/m1/s1
Canonical SMILES
[N-]=[N+]=NC1CC(O)CC(=O)C1OC(=O)c1ccccc1
Isomeric SMILES
C1[C@H](CC(=O)[C@H]([C@@H]1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O

Synonyms

  • P.I. 658
  • 3-Azido-2-benzoyloxy-5-hydroxycyclohexanone
  • Cyclohexanone, 3-azido-2-(benzoyloxy)-5-hydroxy-, (2S-(2alpha,3beta,5alpha))-
  • (1s,2r,4r)-2-azido-4-hydroxy-6-oxocyclohexyl benzoate
  • 3,2-O-Benzoyl-3-azido-5-hydroxycyclohexanone
  • [(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
  • 2-Azido-4-hydroxy-6-oxocyclohexyl benzoate

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
275.26 g/molcalc.
Exact mass
275.0906 Dacalc.
LogP (octanol/water)
1.61calc.
Topological polar surface area
112.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C(OC1CCCCC1=O)c1ccccc1

O=C(OC1CCCCC1=O)c1ccccc1

2 rings, 16 atoms, the 2-Oxocyclohexyl benzoate ring system.

8 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.

MI 658 suppliers

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MI 658 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 MI 658 is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for MI 658 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about MI 658, based on the data on this page

What is MI 658?

MI 658 is a chemical substance with the molecular formula C13H13N3O4 and a molar mass of 275.26 g/mol. Its CAS registry number is 90146-07-9. The IUPAC name is [(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate.

What is the CAS number of MI 658?

The CAS registry number of MI 658 is 90146-07-9.

What is the molecular formula and weight of MI 658?

The molecular formula of MI 658 is C13H13N3O4 and its molar mass is 275.26 g/mol.

What is MI 658 used for?

Known uses and roles of MI 658 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is MI 658 hazardous?

No GHS hazard classification for MI 658 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 MI 658?

MI 658 is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy MI 658?

Post a free request on CompoundList and suppliers of MI 658 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of MI 658?

Suppliers quote MI 658 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 MI 658

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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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