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Heterocyclic building blocks

Bode catalyst 3

Also known as 2-Mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride, 2-Mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium chloride, 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium, chloride

CAS 862893-81-0Formula C14H18ClN3Molar mass 263.77 g/molEC 693-317-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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Bode catalyst 3 chemical structure, C14H18ClN3, CAS 862893-81-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
862893-81-0
Formula
C14H18ClN3
Molar mass
263.77 g/mol
EC number
693-317-4
HS code
293399
Category
Heterocyclic building blocks

What is Bode catalyst 3?

Plain description, key identifiers and synonyms

Bode catalyst 3 is a chemical substance with the molecular formula C14H18ClN3 and a molar mass of 263.77 g/mol. Its CAS registry number is 862893-81-0. The IUPAC name is 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride
CAS number
862893-81-0 CAS number cross-checked
EC number
693-317-4
Molecular formula
C14H18ClN3
MDL number
MFCD09787523
InChIKey
KKBONGWVMVUYPA-UHFFFAOYSA-M
InChI
InChI=1S/C14H18N3.ClH/c1-10-7-11(2)14(12(3)8-10)17-9-16-6-4-5-13(16)15-17;/h7-9H,4-6H2,1-3H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
CC1=CC(=C(C(=C1)C)N2C=[N+]3CCCC3=N2)C.[Cl-]

Synonyms

  • 2-Mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride
  • 2-Mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium chloride
  • 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium, chloride
  • 2-(2,4,6-trimethylphenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride
  • E?-pyrrolo[2,1-c][1,2,4]triazol-4-ylium chloride
  • 2-Mesityl-2,5,6,7-tetrahydro-4-pyrrolo[2,1-c][1,2,4]triazolium Chloride
  • 2-(2,4,6-Trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c][1,2,4]triazol-4-yliumchlo
  • 2-(2,4,6-Trimethyl-phenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triaZol-4-yliumchloride
  • 2-(2,4,6-trimethylphenyl)-2H,5H,6H,7H-4|E?-pyrrolo[2,1-c][1,2,4]triazol-4-ylium chloride

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
263.77 g/molcalc.
Exact mass
263.1189 Dacalc.
LogP (octanol/water)
-0.96calc.
Topological polar surface area
21.7 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.43calc.
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, c1ccc(-n2c[n+]3c(n2)CCC3)cc1

c1ccc(-n2c[n+]3c(n2)CCC3)cc1

3 rings, 14 atoms.

17 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

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Bode catalyst 3 price

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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 Bode catalyst 3 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Bode catalyst 3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bode catalyst 3, based on the data on this page

What is Bode catalyst 3?

Bode catalyst 3 is a chemical substance with the molecular formula C14H18ClN3 and a molar mass of 263.77 g/mol. Its CAS registry number is 862893-81-0. The IUPAC name is 2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride.

What is the CAS number of Bode catalyst 3?

The CAS registry number of Bode catalyst 3 is 862893-81-0.

What is the molecular formula and weight of Bode catalyst 3?

The molecular formula of Bode catalyst 3 is C14H18ClN3 and its molar mass is 263.77 g/mol.

What is Bode catalyst 3 used for?

Known uses and roles of Bode catalyst 3 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bode catalyst 3 hazardous?

Bode catalyst 3 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 Bode catalyst 3?

Bode catalyst 3 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bode catalyst 3?

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What is the price of Bode catalyst 3?

Suppliers quote Bode catalyst 3 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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