CAS 504-88-1|3-Nitropropanoic acid

Introduction：Basic information about CAS 504-88-1|3-Nitropropanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 3-Nitropropanoic acid BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles48
8. Synonyms

Common Name	3-Nitropropanoic acid
CAS Number	504-88-1	Molecular Weight	119.076
Density	1.4±0.1 g/cm3	Boiling Point	303.0±25.0 °C at 760 mmHg
Molecular Formula	C₃H₅NO₄	Melting Point	68-70ºC(lit.)
MSDS	ChineseUSA	Flash Point	148.4±11.6 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	3-nitropropanoic acid
Synonym	More Synonyms

3-Nitropropanoic acid BiologicalActivity

Description	3-Nitropropanoic acid is an irreversible inhibitor of succinate dehydrogenase.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
Target	succinate dehydrogenase[1]
References	[1]. Huang LS, et al. 3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme. J Biol Chem. 2006 Mar 3;281(9):5965-72.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	303.0±25.0 °C at 760 mmHg
Melting Point	68-70ºC(lit.)
Molecular Formula	C₃H₅NO₄
Molecular Weight	119.076
Flash Point	148.4±11.6 °C
Exact Mass	119.021858
PSA	83.12000
LogP	-0.08
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.463
InChIKey	WBLZUCOIBUDNBV-UHFFFAOYSA-N
SMILES	O=C(O)CC[N+](=O)[O-]
Stability	Stable. Incompatible with strong oxidizing agents, bases, reducing agents.
Water Solubility	alcohol: 100 mg/mL, may be light yellow

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UF6220000

CHEMICAL NAME :: Propionic acid, 3-nitro-

CAS REGISTRY NUMBER :: 504-88-1

BEILSTEIN REFERENCE NO. :: 1759889

LAST UPDATED :: 199706

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C3-H5-N-O4

MOLECULAR WEIGHT :: 119.09

WISWESSER LINE NOTATION :: WN2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 67 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 22 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 68100 ug/kg

TOXIC EFFECTS :: Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1870 mg/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors Liver - tumors

TYPE OF TEST :: Specific locus test

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 50 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 196,61,1988

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	Missing Phrase - N15.00950417
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T
Risk Phrases	25-36/37/38
Safety Phrases	26-45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	UF6220000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2915900090

Customs

HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles48

Suppression of Cpn10 increases mitochondrial fission and dysfunction in neuroblastoma cells.

PLoS ONE 9(11) , e112130, (2014)

To date, several regulatory proteins involved in mitochondrial dynamics have been identified. However, the precise mechanism coordinating these complex processes remains unclear. Mitochondrial chapero...

Quantification of nitropropanoyl glucosides in karaka nuts before and after treatment.

Food Chem. 175 , 543-8, (2015)

A high performance liquid chromatography (HPLC) method was developed to assay nitropropanoyl glucosides in the nuts of karaka (Corynocarpus laevigatus) a traditional food of New Zealand Māori. Levels ...

Naringin modulates oxidative stress and inflammation in 3-nitropropionic acid-induced neurodegeneration through the activation of nuclear factor-erythroid 2-related factor-2 signalling pathway.

Neuroscience 227 , 134-43, (2012)

Nuclear factor-erythroid 2-related factor-2 (Nrf2) mediated regulation of cellular antioxidant production and the anti-inflammatory mechanism play an important role in neuroprotection against neurodeg...

Synonyms

Propanoic acid, 3-nitro- (9CI)

Propanoic acid,3-nitro

Propanoic acid, 3-nitro-

Hiptagenic acid

3-Nitropropionate

Propionic acid,3-nitro

Bovinocidin

3-nitro propionic acid

RN 1 dihydrochloride

β-Nitropropionic acid

3-Nitropropionic acid

propionic acid, 3-nitro-

3-Nitropropanoic acid

β-Nitropropanoic acid

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