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Heterocyclic building blocks

Sbb009397

Also known as methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate, methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate, 1H-1,2,4-Triazole-1-propanoic acid, 3-nitro-, methyl ester

CAS 105958-58-5Formula C6H8N4O4Molar mass 200.15 g/mol
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Sbb009397 chemical structure, C6H8N4O4, CAS 105958-58-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
105958-58-5
Formula
C6H8N4O4
Molar mass
200.15 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Sbb009397?

Plain description, key identifiers and synonyms

Sbb009397 is a chemical substance with the molecular formula C6H8N4O4 and a molar mass of 200.15 g/mol. Its CAS registry number is 105958-58-5. The IUPAC name is methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate
CAS number
105958-58-5 CAS number cross-checked
Molecular formula
C6H8N4O4
MDL number
MFCD03447293
InChIKey
FIJGITPHCVSQPP-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N4O4/c1-14-5(11)2-3-9-4-7-6(8-9)10(12)13/h4H,2-3H2,1H3
SMILES (canonical and isomeric)
COC(=O)CCN1C=NC(=N1)[N+](=O)[O-]

Synonyms

  • methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate
  • methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate
  • 1H-1,2,4-Triazole-1-propanoic acid, 3-nitro-, methyl ester
  • methyl 3-(3-nitro-1,2,4-triazolyl)propanoate
  • 3-(3-Nitro-[1,2,4]triazol-1-yl)-propionic acid methyl ester
  • methyl3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate

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
200.15 g/molcalc.
Exact mass
200.0546 Dacalc.
LogP (octanol/water)
-0.25calc.
Topological polar surface area
100.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, c1nc[nH]n1

c1nc[nH]n1

1 ring, 5 atoms, the 1H-1,2,4-Triazole ring system.

6,153 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.

Sbb009397 suppliers

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Sbb009397 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

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 Sbb009397 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 Sbb009397 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb009397, based on the data on this page

What is Sbb009397?

Sbb009397 is a chemical substance with the molecular formula C6H8N4O4 and a molar mass of 200.15 g/mol. Its CAS registry number is 105958-58-5. The IUPAC name is methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate.

What is the CAS number of Sbb009397?

The CAS registry number of Sbb009397 is 105958-58-5.

What is the molecular formula and weight of Sbb009397?

The molecular formula of Sbb009397 is C6H8N4O4 and its molar mass is 200.15 g/mol.

What is Sbb009397 used for?

Known uses and roles of Sbb009397 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb009397 hazardous?

No GHS hazard classification for Sbb009397 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 Sbb009397?

Sbb009397 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 Sbb009397?

Post a free request on CompoundList and suppliers of Sbb009397 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb009397?

Suppliers quote Sbb009397 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 Sbb009397

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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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