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Halogenated compounds

Mechlorethamine oxide

Also known as Nitrogen mustard N-oxide, 2,2'-Dichloro-N-methyldiethylamine-N-oxide, Methylbis(beta-chloroethyl)amine N-oxide

CAS 126-85-2Formula C5H11Cl2NOMolar mass 172.06 g/mol
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Mechlorethamine oxide chemical structure, C5H11Cl2NO, CAS 126-85-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126-85-2
Formula
C5H11Cl2NO
Molar mass
172.06 g/mol
HS code
294200
Category
Halogenated compounds

What is Mechlorethamine oxide?

Plain description, key identifiers and synonyms

Nitrogen mustard N-oxide is a nitrogen mustard.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
CAS number
126-85-2 CAS number cross-checked
Molecular formula
C5H11Cl2NO
UNII
2Q86QAR1PN
InChIKey
AFLXUQUGROGEFA-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3
SMILES (canonical and isomeric)
C[N+](CCCl)(CCCl)[O-]

Synonyms

  • Nitrogen mustard N-oxide
  • 2,2'-Dichloro-N-methyldiethylamine-N-oxide
  • Methylbis(beta-chloroethyl)amine N-oxide
  • Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, N-oxide
  • 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
  • Nitrogen mustard (HN-2), N-oxide
  • Oxy-NH2
  • HN2 amine oxide
  • HN2 oxide mustard
  • N-Oxyd-lost
  • N-Oxyd-mustard
  • Nitrogen mustard amine oxide
  • Methyl-dichlorethylamine oxide
  • Methyl-bis(beta-chloroethyl)amine oxide
  • N-Methyl-di-2-chloroethylamine-N-oxide
  • Diethylamine, 2,2'-dichloro-N-methyl-, oxide
  • Diethylamine, 2,2'-dichloro-N-methyl-, N-oxide
  • bis(2-chloroethyl)methylamine oxide
  • 2-Chloro-N-(2-chloroethyl)-N-methylethanamine-N-oxide
  • 2-Chloro-N-(2-chloroethyl)-N-methylethan-1-amine N-oxide
  • Bis(2-chloroethyl)methylamine N-Oxide
  • Methylbis(2-chloroethyl)amine N-oxide
  • methyl-bis(2-chloroethyl)-amine N-oxide
  • 2-Chloro-N-(2-chloroethyl)-N-methylethan-1-amine oxide

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
172.06 g/molcalc.
Exact mass
171.0218 Dacalc.
LogP (octanol/water)
1.41calc.
Topological polar surface area
23.06 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Mechlorethamine oxide suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Mechlorethamine oxide 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

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: N,N-bis(2-Chloroethyl)methylamine N-oxide and its salts, Ref no: 86, Annex ref: II/86

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2942.00Indicative HS code

Organic compounds not elsewhere classified in chapter 29

World exports in 2024
$589M
−43.5% vs 2023, imports $614M
2019 to 2024
Top exporters
  1. India * partner reported20.7%
  2. United States18.6%
  3. Italy10.4%
Top importers
  1. United States15.1%
  2. Italy6.7%
  3. Japan5.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Mechlorethamine oxide is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mechlorethamine oxide, based on the data on this page

What is Mechlorethamine oxide?

Nitrogen mustard N-oxide is a nitrogen mustard.

What is the CAS number of Mechlorethamine oxide?

The CAS registry number of Mechlorethamine oxide is 126-85-2.

What is the molecular formula and weight of Mechlorethamine oxide?

The molecular formula of Mechlorethamine oxide is C5H11Cl2NO and its molar mass is 172.06 g/mol.

What is Mechlorethamine oxide used for?

Known uses and roles of Mechlorethamine oxide include building blocks in research and laboratory.

Is Mechlorethamine oxide hazardous?

No GHS hazard classification for Mechlorethamine oxide 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 Mechlorethamine oxide?

Mechlorethamine oxide is usually classified under HS code 294200 (XIII. OTHER ORGANIC COMPOUNDS, other organic compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mechlorethamine oxide?

CompoundList lists 2 suppliers of Mechlorethamine oxide 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 Mechlorethamine oxide?

Suppliers quote Mechlorethamine oxide 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 Mechlorethamine oxide

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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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