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Organometallic compounds

Phenyllithium

Also known as Lithium, phenyl-

CAS 591-51-5Formula C6H5LiMolar mass 84.05 g/molEC 209-720-1
GHS signal word: Danger. Pictograms: Flammable, Corrosive, Harmful or irritant 4 suppliers listed
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Phenyllithium chemical structure, C6H5Li, CAS 591-51-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
591-51-5
Formula
C6H5Li
Molar mass
84.05 g/mol
EC number
209-720-1
HS code
290290
Category
Organometallic compounds

What is Phenyllithium?

Plain description, key identifiers and synonyms

Phenyllithium is a chemical substance with the molecular formula C6H5Li and a molar mass of 84.05 g/mol. Its CAS registry number is 591-51-5.

Identifiers

Registry numbers, names and line notations, tap to copy

CAS number
591-51-5 CAS number cross-checked
EC number
209-720-1
Molecular formula
C6H5Li
InChIKey
NHKJPPKXDNZFBJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;
SMILES (canonical and isomeric)
[Li].C1=CC=[C]C=C1

Synonyms

  • Lithium, phenyl-

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
84.05 g/molcalc.
Exact mass
84.0551 Dacalc.
LogP (octanol/water)
1.11calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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, [c]1ccccc1

[c]1ccccc1

1 ring, 6 atoms, the Phenyl ring system.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H250Catches fire spontaneously if exposed to air.
  • H261In contact with water releases flammable gas.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H314Causes severe skin burns and eye damage.
  • H318Causes serious eye damage.
  • H332Harmful if inhaled.
Precautionary statements (35)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P222Do not allow contact with air.
  • P231Handle and store contents under inert gas.
  • P231 + P232Handle and store contents under inert gas. Protect from moisture.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P335 + P334If on skin: Brush off loose particles from skin. Immerse in cool water or wrap in wet bandages.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P363Wash contaminated clothing before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P402 + P404Store in a dry place. Store in a closed container.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

Phenyllithium suppliers

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

All 4 suppliers
4 of 4 offers

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

4 suppliers in 2 countries

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Phenyllithium 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phenyllithium is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Phenyllithium, based on the data on this page

What is Phenyllithium?

Phenyllithium is a chemical substance with the molecular formula C6H5Li and a molar mass of 84.05 g/mol. Its CAS registry number is 591-51-5.

What is the CAS number of Phenyllithium?

The CAS registry number of Phenyllithium is 591-51-5.

What is the molecular formula and weight of Phenyllithium?

The molecular formula of Phenyllithium is C6H5Li and its molar mass is 84.05 g/mol.

Is Phenyllithium hazardous?

Phenyllithium carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, catches fire spontaneously if exposed to air, in contact with water releases flammable gas. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenyllithium?

Phenyllithium is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenyllithium?

CompoundList lists 4 suppliers of Phenyllithium in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Phenyllithium in India?

1 supplier in India list Phenyllithium on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Phenyllithium?

Suppliers quote Phenyllithium 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 Phenyllithium

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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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