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Aromatic building blocks

beta-Methylphenylethylisocyanide

Also known as (1-isocyanopropan-2-yl)benzene

CAS 86357-30-4Formula C10H11NMolar mass 145.21 g/mol
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beta-Methylphenylethylisocyanide chemical structure, C10H11N, CAS 86357-30-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86357-30-4
Formula
C10H11N
Molar mass
145.21 g/mol
HS code
292990
Category
Aromatic building blocks

What is beta-Methylphenylethylisocyanide?

Plain description, key identifiers and synonyms

beta-Methylphenylethylisocyanide is a chemical substance with the molecular formula C10H11N and a molar mass of 145.21 g/mol. Its CAS registry number is 86357-30-4. The IUPAC name is 1-isocyanopropan-2-ylbenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-isocyanopropan-2-ylbenzene
CAS number
86357-30-4
Molecular formula
C10H11N
InChIKey
YDLVACKALUGWOM-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1H3
SMILES (canonical and isomeric)
CC(C[N+]#[C-])C1=CC=CC=C1

Synonyms

  • (1-isocyanopropan-2-yl)benzene

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
145.21 g/molcalc.
Exact mass
145.0891 Dacalc.
LogP (octanol/water)
2.71calc.
Topological polar surface area
4.36 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
2calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

beta-Methylphenylethylisocyanide suppliers

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beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Methylphenylethylisocyanide, based on the data on this page

What is beta-Methylphenylethylisocyanide?

beta-Methylphenylethylisocyanide is a chemical substance with the molecular formula C10H11N and a molar mass of 145.21 g/mol. Its CAS registry number is 86357-30-4. The IUPAC name is 1-isocyanopropan-2-ylbenzene.

What is the CAS number of beta-Methylphenylethylisocyanide?

The CAS registry number of beta-Methylphenylethylisocyanide is 86357-30-4.

What is the molecular formula and weight of beta-Methylphenylethylisocyanide?

The molecular formula of beta-Methylphenylethylisocyanide is C10H11N and its molar mass is 145.21 g/mol.

What is beta-Methylphenylethylisocyanide used for?

Known uses and roles of beta-Methylphenylethylisocyanide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is beta-Methylphenylethylisocyanide hazardous?

No GHS hazard classification for beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide?

beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide?

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

What is the price of beta-Methylphenylethylisocyanide?

Suppliers quote beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide

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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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