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Heterocyclic compounds

Bromacil-lithium

Also known as Bromacil lithium salt, Lithium bromacil, Bromacil, lithium salt

CAS 53404-19-6Formula C9H12BrLiN2O2Molar mass 267.05 g/molEC 258-525-8
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Bromacil-lithium chemical structure, C9H12BrLiN2O2, CAS 53404-19-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53404-19-6
Formula
C9H12BrLiN2O2
Molar mass
267.05 g/mol
Physical form
Crystals
HS code
293359
Category
Heterocyclic compounds
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Bromacil-lithium?

Plain description, key identifiers and synonyms

Bromacil lithium salt is a crystalline solid. Used as an herbicide to replace 2,4,5,-T in certain applications.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
lithium 5-bromo-3-butan-2-yl-6-methylpyrimidin-1-ide-2,4-dione
CAS number
53404-19-6 CAS number cross-checked
EC number
258-525-8
Molecular formula
C9H12BrLiN2O2
UNII
UYA13S4R4X
InChIKey
VIMSQXDDXJYTLW-UHFFFAOYSA-M
InChI
InChI=1S/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,13,14);/q;+1/p-1
SMILES (canonical and isomeric)
[Li+].CCC(C)N1C(=O)C(=C([N-]C1=O)C)Br

Synonyms

  • Bromacil lithium salt
  • Lithium bromacil
  • Bromacil, lithium salt
  • 5-Bromo-3-sec-butyl-6-methylpyrimidine-2,4(1H,3H)-dione, lithium salt
  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-, lithium salt
  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-, lithium salt (1:1)
  • 2,4-(1H,3H)-pyrimidinedione,
  • 5-Bromo-6-methyl-3-sec-butyl-2,4-(1H,3H)-pyrimidinedione, lithium salt
  • 2,4-(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl), lithium salt
  • 5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione lithium salt
  • lithium (RS)-5-bromo-1-sec-butyl-1,6-dihydro-4-methyl-6-oxopyrimidin-2-olate
  • Lithium 5-bromo-3-(butan-2-yl)-6-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ide

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

Physical form
Crystalsexp.

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
267.05 g/molcalc.
Exact mass
266.0242 Dacalc.
LogP (octanol/water)
-1.79calc.
Topological polar surface area
53.17 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=c1cc[nH]c(=O)[nH]1

O=c1cc[nH]c(=O)[nH]1

1 ring, 8 atoms, the Uracil ring system.

2,933 other chemicals share this scaffold

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.

Bromacil-lithium suppliers

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Bromacil-lithium 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

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 Bromacil-lithium is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Bromacil-lithium, based on the data on this page

What is Bromacil-lithium?

Bromacil lithium salt is a crystalline solid. Used as an herbicide to replace 2,4,5,-T in certain applications.

What is the CAS number of Bromacil-lithium?

The CAS registry number of Bromacil-lithium is 53404-19-6.

What is the molecular formula and weight of Bromacil-lithium?

The molecular formula of Bromacil-lithium is C9H12BrLiN2O2 and its molar mass is 267.05 g/mol.

Is Bromacil-lithium hazardous?

No GHS hazard classification for Bromacil-lithium 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 Bromacil-lithium?

Bromacil-lithium is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bromacil-lithium?

Post a free request on CompoundList and suppliers of Bromacil-lithium will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bromacil-lithium?

Suppliers quote Bromacil-lithium 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 Bromacil-lithium

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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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