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Nitriles, nitro and azo compounds

Gibbs reagent

Also known as 2,6-Dichloroquinone-4-chloroimide, 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone, 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-

CAS 101-38-2Formula C6H2Cl3NOMolar mass 210.45 g/molEC 202-937-2
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant 4 suppliers listed
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Gibbs reagent chemical structure, C6H2Cl3NO, CAS 101-38-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101-38-2
Formula
C6H2Cl3NO
Molar mass
210.45 g/mol
EC number
202-937-2
HS code
292529
Category
Nitriles, nitro and azo compounds

What is Gibbs reagent?

Plain description, key identifiers and synonyms

Gibbs reagent is a chemical substance with the molecular formula C6H2Cl3NO and a molar mass of 210.45 g/mol. Its CAS registry number is 101-38-2. The IUPAC name is 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one
CAS number
101-38-2 CAS number cross-checked
EC number
202-937-2
Molecular formula
C6H2Cl3NO
UNII
Y19A13RZO0
MDL number
MFCD00001611
InChIKey
YHUMTHWQGWPJOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
SMILES (canonical and isomeric)
C1=C(C(=O)C(=CC1=NCl)Cl)Cl

Synonyms

  • 2,6-Dichloroquinone-4-chloroimide
  • 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone
  • 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-
  • 2,6-Dichloroquinone chloroimide
  • 2,6-Dichloroquinonechloroimine
  • N,2,6-Trichlorobenzoquinone imine
  • 2,6-Dichloroquinone-4-chloroimine
  • 2,6-Dichlorobenzoquinone chloroimide
  • 2,6-Dichloro-4-N-chloroquinonimine
  • p-Benzoquinone imine, N,2,6-trichloro-
  • n,2,6-trichloroquinoneimine
  • N,2,6-Trichloro-p-benzoquinonimine
  • N,2,6-Trichloro-p-benzoquinone imine
  • N,2,6-Trichloro-4-benzoquinone imine
  • N,2,6-Trichloro-p-quinoneimine
  • 4-Chloroimino-2,6-dichloro-2,5-cyclohexadiene-1-one
  • 2,6-Dichloro-4-(chloroimino)-2,5-cyclohexadien-1-one
  • 2,5-Cyclohexadien-1-one, 4-chloroimino-2,6-dichloro-
  • 3-07-00-03377 (Beilstein Handbook Reference)
  • dichloroquinonechlorimide
  • 2,6Dichloroquinonechloroimine
  • 2,6Dichloroquinone chloroimide
  • 2,6Dichloroquinone4chloroimide
  • 2,6Dichloroquinone4chloroimine
  • 2,6Dichloro4Nchloroquinonimine
Show all 37 synonyms
  • N,2,6Trichloropbenzoquinonimine
  • N,2,6Trichlorobenzoquinone imine
  • N,2,6Trichloropbenzoquinone imine
  • 2,6Dichlorobenzoquinone chloroimide
  • N,2,6-trichloro-4-benzoquinoneimine
  • pBenzoquinone imine, N,2,6trichloro
  • 4Chloroimino2,6dichloro2,5cyclohexadiene1one
  • 2,6Dichloro4(chloroimino)cyclohexa2,5dienone
  • 2,5Cyclohexadien1one, 4chloroimino2,6dichloro
  • 2,6Dichloro4(chloroimino)2,5cyclohexadien1one
  • 2,5Cyclohexadien1one, 2,6dichloro4(chloroimino)
  • N-2,6-Trichloro-p-benzoquinonimine

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
210.45 g/molcalc.
Exact mass
208.9202 Dacalc.
LogP (octanol/water)
2.41calc.
Topological polar surface area
29.43 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
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, N=C1C=CC(=O)C=C1

N=C1C=CC(=O)C=C1

1 ring, 8 atoms, the p-Benzoquinone imine ring system.

33 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

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

Hazard statements

  • H242Heating may cause a fire.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (25)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P234Keep only in original packaging.
  • P235Keep cool.
  • P240Ground and bond container and receiving equipment.
  • 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.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403Store in a well-ventilated place.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P410Protect from sunlight.
  • P411Store at temperatures not exceeding the specified limit.
  • P420Store separately.
  • 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

Gibbs reagent suppliers

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Where suppliers are based

4 suppliers in 2 countries

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Gibbs reagent 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

United States

  • TSCA inventory (USA)
    Status: Inactive 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 Gibbs reagent is traded under.

HS 2925.29Indicative HS code

Imines and their derivatives, salts thereof, other

World exports in 2024
$1.8B
+12.4% vs 2023, imports $1.84B
2019 to 2024
Top exporters
  1. China35.9%
  2. France * partner reported15.5%
  3. Germany9.1%
Top importers
  1. United States13.3%
  2. China13.0%
  3. Brazil9.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Gibbs reagent, based on the data on this page

What is Gibbs reagent?

Gibbs reagent is a chemical substance with the molecular formula C6H2Cl3NO and a molar mass of 210.45 g/mol. Its CAS registry number is 101-38-2. The IUPAC name is 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one.

What is the CAS number of Gibbs reagent?

The CAS registry number of Gibbs reagent is 101-38-2.

What is the molecular formula and weight of Gibbs reagent?

The molecular formula of Gibbs reagent is C6H2Cl3NO and its molar mass is 210.45 g/mol.

What is Gibbs reagent used for?

Known uses and roles of Gibbs reagent include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Gibbs reagent hazardous?

Gibbs reagent carries the GHS signal word "Danger". Main hazards: heating may cause a fire, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Gibbs reagent?

Gibbs reagent is usually classified under HS code 292529 (Imines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gibbs reagent?

CompoundList lists 4 suppliers of Gibbs reagent 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 Gibbs reagent?

Suppliers quote Gibbs reagent 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

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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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