3-nitropropionic acid

Description

3-nitropropionic acid · CAS 504-88-1 · C3H5NO4. UNII QY4L0FOX0D. Melting Point: 145 to 149 °F (NTP, 1992); Melting Point: 68-70 °C; Melting Point: 64 - 65 °C.

Identification

CAS Registry Number	504-88-1
PubChem CID	1678
Molecular formula	C3H5NO4
IUPAC name	3-nitropropanoic acid
UNII (FDA)	QY4L0FOX0D

Computed Descriptors

Molecular Weight	119.08
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	119.02185764
Monoisotopic Mass	119.02185764
Topological Polar Surface Area	83.1
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Melting Point	145 to 149 °F (NTP, 1992)
Melting Point	68-70 °C
Melting Point	64 - 65 °C

Physical description & handling notes

• 3-nitropropionic acid appears as golden crystals (from chloroform). (NTP, 1992)
• Golden solid; [CAMEO] Fine faintly beige crystals; [MSDSonline]
• Solid
• Crystals from chloroform
• greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
• Very soluble in water, ethanol, diethyl ether; soluble in warm chloroform; insoluble in ligroin

GHS Hazard Classification

Reported hazard statements	H301 (100%), H315 (95%), H319 (95%), H335 (95%)

Documented Uses

• A naturally occurring mycotoxin that is associated with motor disorders in livestock and humans that have ingested contaminated food; Used as a research chemical; Not commercially produced in the US; [HSDB]
• Research mitochondrial inhibitor for injection into test animals
• 3-Nitropropionic acid is a neurotoxin produced by certain plants and fungi, such as those of the genus Astragalus, Coronilla, Lotus, Hippocrepis, Scorpiurus, and Securigera. It produces symptoms similar to that of Huntington disease and this thus often used to produced animal models for the study of the disease. (A2967, A2968, A2970)
• (1977) NOT PRODUCED COMMERCIALLY IN US
• (1979) NOT PRODUCED COMMERCIALLY IN US
• Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Synonyms

3-nitropropionic acid; 3-Nitropropanoic acid; 504-88-1; Bovinocidin; Hiptagenic acid; beta-Nitropropionic acid; Propanoic acid, 3-nitro-; 3-NP acid; Propionic acid, 3-nitro-; beta-Nitropropanoic acid; NCI-C03076; NSC 64266; DTXSID1020982; NITROPROPIONIC ACID, BETA; QY4L0FOX0D; CHEBI:16348

Frequently Asked Questions

What are the CAS number and molecular formula of 3-nitropropionic acid?

CAS 504-88-1; molecular formula C3H5NO4; molecular weight — g/mol.

What other names is 3-nitropropionic acid known by?

3-nitropropionic acid, 3-Nitropropanoic acid, 504-88-1, Bovinocidin, Hiptagenic acid, beta-Nitropropionic acid.

Is 3-nitropropionic acid classified as hazardous?

Hazard statements reported: H301, H315, H319, H335.

What are the key physical properties of 3-nitropropionic acid?

Melting Point: 145 to 149 °F (NTP, 1992); Melting Point: 68-70 °C; Melting Point: 64 - 65 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.