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Ethers, epoxides and acetals

Isonitrin A

Also known as Spiro(6-oxabicyclo(3.1.0)hex-3-ene-2,2'-oxirane), 4-isocyano-3'-methyl-, (1-alpha,2-beta(S*),(5-alpha)-(+)-, (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]

CAS 83016-48-2Formula C8H7NO2Molar mass 149.15 g/mol
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Isonitrin A chemical structure, C8H7NO2, CAS 83016-48-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83016-48-2
Formula
C8H7NO2
Molar mass
149.15 g/mol
HS code
292990
Category
Ethers, epoxides and acetals

What is Isonitrin A?

Plain description, key identifiers and synonyms

Isonitrin A is a chemical substance with the molecular formula C8H7NO2 and a molar mass of 149.15 g/mol. Its CAS registry number is 83016-48-2. The IUPAC name is (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane].

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]
CAS number
83016-48-2
Molecular formula
C8H7NO2
InChIKey
QKQBXLBJVMDJNP-OETYCNMMSA-N
InChI
InChI=1S/C8H7NO2/c1-4-8(11-4)3-5(9-2)6-7(8)10-6/h3-4,6-7H,1H3/t4?,6?,7-,8?/m1/s1
Canonical SMILES
[C-]#[N+]C1=CC2(OC2C)C2OC12
Isomeric SMILES
CC1C2(O1)C=C(C3[C@H]2O3)[N+]#[C-]

Synonyms

  • Spiro(6-oxabicyclo(3.1.0)hex-3-ene-2,2'-oxirane), 4-isocyano-3'-methyl-, (1-alpha,2-beta(S*),(5-alpha)-(+)-
  • (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane]

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
149.15 g/molcalc.
Exact mass
149.0477 Dacalc.
LogP (octanol/water)
0.73calc.
Topological polar surface area
29.42 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1=CC2(CO2)C2OC12

C1=CC2(CO2)C2OC12

3 rings, 8 atoms.

1 other chemical 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.

Isonitrin A suppliers

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Isonitrin A 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 Isonitrin A is traded under.

HS 2929.90Indicative HS code

Compounds with other nitrogen function, other

World exports in 2024
$712M
+1.5% vs 2023, imports $703M
2019 to 2024
Top exporters
  1. China32.1%
  2. South Korea18.0%
  3. Germany13.3%
Top importers
  1. United States19.3%
  2. Japan8.0%
  3. China7.3%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Isonitrin A, based on the data on this page

What is Isonitrin A?

Isonitrin A is a chemical substance with the molecular formula C8H7NO2 and a molar mass of 149.15 g/mol. Its CAS registry number is 83016-48-2. The IUPAC name is (5R)-2-isocyano-3'-methylspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,2'-oxirane].

What is the CAS number of Isonitrin A?

The CAS registry number of Isonitrin A is 83016-48-2.

What is the molecular formula and weight of Isonitrin A?

The molecular formula of Isonitrin A is C8H7NO2 and its molar mass is 149.15 g/mol.

What is Isonitrin A used for?

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

Is Isonitrin A hazardous?

No GHS hazard classification for Isonitrin A 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 Isonitrin A?

Isonitrin A is usually classified under HS code 292990 (Compounds with other nitrogen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isonitrin A?

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

What is the price of Isonitrin A?

Suppliers quote Isonitrin A 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 Isonitrin A

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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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