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2-Ethynylaniline

Also known as 2-Aminophenylacetylene, 2-Ethynyl-phenylamine, Benzenamine, 2-ethynyl-

2-Ethynylaniline chemical structure, C8H7N, CAS 52670-38-9
2D chemical structure

Key facts

What buyers check first

CAS number
52670-38-9
Formula
C8H7N
Molar mass
117.15 g/mol
EC number
628-712-2
HS code
292142
Category
Impurities and reference standards

What is 2-Ethynylaniline?

Plain description, key identifiers and synonyms

2-Ethynylaniline is a chemical substance with the molecular formula C8H7N and a molar mass of 117.15 g/mol. Its CAS registry number is 52670-38-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-ethynylaniline
CAS number
52670-38-9 CAS number cross-checked
EC number
628-712-2
Molecular formula
C8H7N
MDL number
MFCD00168862
InChIKey
ALQPJHSFIXARGX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2
SMILES (canonical and isomeric)
C#CC1=CC=CC=C1N

Synonyms

  • 2-Aminophenylacetylene
  • 2-Ethynyl-phenylamine
  • Benzenamine, 2-ethynyl-
  • Erlotinib Impurity 59
  • 2-Ethynylaniline, 98%
  • 2-ethynyl aniline
  • 2-ethynylbenzenamine
  • N-(2-Chloromethyl
  • 2-Ethynylaniline 98
  • 2-Ethynyl-Benzenamine(Discontinued,See C4X-1069115)

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
117.15 g/molcalc.
Exact mass
117.0578 Dacalc.
LogP (octanol/water)
1.25calc.
Topological polar surface area
26.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

2-Ethynylaniline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 2 countries

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2-Ethynylaniline price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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-Ethynylaniline is traded under.

HS 2921.42Indicative HS code

Aniline derivatives and their salts

World exports in 2024
$495M
−2.5% vs 2023, imports $440M
2019 to 2024
Top exporters
  1. China69.8%
  2. India * partner reported19.6%
  3. Japan3.3%
Top importers
  1. Pakistan17.0%
  2. United Arab Emirates * partner reported12.7%
  3. Brazil10.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 2-Ethynylaniline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 2-Ethynylaniline?

2-Ethynylaniline is a chemical substance with the molecular formula C8H7N and a molar mass of 117.15 g/mol. Its CAS registry number is 52670-38-9.

What is the CAS number of 2-Ethynylaniline?

The CAS registry number of 2-Ethynylaniline is 52670-38-9.

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

The molecular formula of 2-Ethynylaniline is C8H7N and its molar mass is 117.15 g/mol.

Is 2-Ethynylaniline hazardous?

2-Ethynylaniline carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Ethynylaniline?

2-Ethynylaniline is usually classified under HS code 292142 (Aniline derivatives and their salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Ethynylaniline?

CompoundList lists 6 suppliers of 2-Ethynylaniline in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Ethynylaniline?

Suppliers quote 2-Ethynylaniline 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-Ethynylaniline

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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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