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3-Nitropropionic acid chemical structure, C3H5NO4, CAS 504-88-1
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals from chloroform
Melting point
68 to 70
Solubility
Very soluble in water, ethanol, diethyl ether, soluble in warm chloroform, insoluble in…
HS code
291590
Category
Cardiovascular and metabolic drugs
UN number
UN 2811
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 3-Nitropropionic acid?

Plain description, key identifiers and synonyms

3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has a role as a mycotoxin, a neurotoxin, an antimycobacterial drug and an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It is functionally related to a propionic acid. It is a conjugate acid of a 3-nitropropanoate. It is a tautomer of a 3-aci-nitropropanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-nitropropanoic acid
CAS number
504-88-1 CAS number cross-checked
EC number
208-003-0
Molecular formula
C3H5NO4
UNII
QY4L0FOX0D
MDL number
MFCD00007406
InChIKey
WBLZUCOIBUDNBV-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
SMILES (canonical and isomeric)
C(C[N+](=O)[O-])C(=O)O

Synonyms

  • 3-Nitropropanoic acid
  • Bovinocidin
  • Hiptagenic acid
  • beta-Nitropropionic acid
  • Propanoic acid, 3-nitro-
  • 3-NP acid
  • Propionic acid, 3-nitro-
  • beta-Nitropropanoic acid
  • Nitropropionic acid, beta
  • 3-nitro-1-propionate
  • 3-Nitropropionate
  • 3-nitro-propionic acid
  • BOVINOCIDIN (3-nitropropionic acid)
  • beta-Nitropropanoate
  • BNP
  • Nitropropionic aci, beta
  • 3-Nitropropionicacid
  • BNP, Bovinocidin, Hiptagenic Acid, NSC 64266, ss-Nitropropionic Acid
  • 3-Nitroporpionic Acid
  • 3-Nitro-Propanoic acid
  • beta -nitropropionic acid
  • 3-Nitropropionic acid, 8CI
  • 4-02-00-00771 (Beilstein Handbook Reference)
  • 3-Nitropropionic acid, 97%
  • DivK1c_006788
Show all 30 synonyms
  • 3-Nitropropionic acid, >=97%
  • Propanoic acid, 3-nitro- (9CI)
  • 504-88-1 (FREE ACID)
  • Sdccgmls-0066769.p001
  • Sdccgsbi-0050815.p003

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

Appearance
Crystals from chloroformexp.
Melting point
68 to 70exp.
Solubility
Very soluble in water, ethanol, diethyl ether, soluble in warm chloroform, insoluble in ligroinexp.

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
119.08 g/molcalc.
Exact mass
119.0219 Dacalc.
LogP (octanol/water)
-0.26calc.
Topological polar surface area
80.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • 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).
  • P330Rinse mouth.
  • 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.
UN number
UN 2811

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

3-Nitropropionic acid suppliers

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3-Nitropropionic acid 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

Research chemical.

Research mitochondrial inhibitor for injection into test animals.

Pharmacological actions

  • Antihypertensive Agents
  • Convulsants

Roles

  • aetiopathogenetic role
  • antibacterial agent
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • antimycobacterial drug
  • enzyme inhibitor
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • mycotoxin
  • neurotoxin
  • pharmaceutical
  • poison
  • toxin

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 3-Nitropropionic acid is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about 3-Nitropropionic acid, based on the data on this page

What is 3-Nitropropionic acid?

3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has a role as a mycotoxin, a neurotoxin, an antimycobacterial drug and an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor.

What is the CAS number of 3-Nitropropionic acid?

The CAS registry number of 3-Nitropropionic acid is 504-88-1.

What is the molecular formula and weight of 3-Nitropropionic acid?

The molecular formula of 3-Nitropropionic acid is C3H5NO4 and its molar mass is 119.08 g/mol.

What is 3-Nitropropionic acid used for?

Research chemical. Research mitochondrial inhibitor for injection into test animals.

Is 3-Nitropropionic acid hazardous?

3-Nitropropionic acid carries the GHS signal word "Danger". Main hazards: toxic if swallowed, 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 3-Nitropropionic acid?

3-Nitropropionic acid is usually classified under HS code 291590 (Saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Nitropropionic acid?

CompoundList lists 75 suppliers of 3-Nitropropionic acid in United States, China, United Kingdom, Germany and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Nitropropionic acid?

Suppliers quote 3-Nitropropionic acid 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 3-Nitropropionic acid

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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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