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Halogenated compounds

2-Fluorophenylisocyanide

Also known as 1-fluoro-2-isocyanobenzene, 1-fluoro-2-isocyano-benzene, Benzene, 1-fluoro-2-isocyano-

CAS 77897-04-2Formula C7H4FNMolar mass 121.11 g/mol
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2-Fluorophenylisocyanide chemical structure, C7H4FN, CAS 77897-04-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77897-04-2
Formula
C7H4FN
Molar mass
121.11 g/mol
HS code
292990
Category
Halogenated compounds

What is 2-Fluorophenylisocyanide?

Plain description, key identifiers and synonyms

2-Fluorophenylisocyanide is a chemical substance with the molecular formula C7H4FN and a molar mass of 121.11 g/mol. Its CAS registry number is 77897-04-2. The IUPAC name is 1-fluoro-2-isocyanobenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-fluoro-2-isocyanobenzene
CAS number
77897-04-2 CAS number cross-checked
Molecular formula
C7H4FN
MDL number
MFCD04117588
InChIKey
VFNJIWJRUXUBDK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FN/c1-9-7-5-3-2-4-6(7)8/h2-5H
SMILES (canonical and isomeric)
[C-]#[N+]C1=CC=CC=C1F

Synonyms

  • 1-fluoro-2-isocyanobenzene
  • 1-fluoro-2-isocyano-benzene
  • Benzene, 1-fluoro-2-isocyano-

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
121.11 g/molcalc.
Exact mass
121.0328 Dacalc.
LogP (octanol/water)
2.38calc.
Topological polar surface area
4.36 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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, 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.

2-Fluorophenylisocyanide suppliers

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2-Fluorophenylisocyanide 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 2-Fluorophenylisocyanide 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 2-Fluorophenylisocyanide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Fluorophenylisocyanide, based on the data on this page

What is 2-Fluorophenylisocyanide?

2-Fluorophenylisocyanide is a chemical substance with the molecular formula C7H4FN and a molar mass of 121.11 g/mol. Its CAS registry number is 77897-04-2. The IUPAC name is 1-fluoro-2-isocyanobenzene.

What is the CAS number of 2-Fluorophenylisocyanide?

The CAS registry number of 2-Fluorophenylisocyanide is 77897-04-2.

What is the molecular formula and weight of 2-Fluorophenylisocyanide?

The molecular formula of 2-Fluorophenylisocyanide is C7H4FN and its molar mass is 121.11 g/mol.

What is 2-Fluorophenylisocyanide used for?

Known uses and roles of 2-Fluorophenylisocyanide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Fluorophenylisocyanide hazardous?

No GHS hazard classification for 2-Fluorophenylisocyanide 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 2-Fluorophenylisocyanide?

2-Fluorophenylisocyanide 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 2-Fluorophenylisocyanide?

Post a free request on CompoundList and suppliers of 2-Fluorophenylisocyanide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Fluorophenylisocyanide?

Suppliers quote 2-Fluorophenylisocyanide 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 2-Fluorophenylisocyanide

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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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