CAS 1453-58-3|3-Methylpyrazole
Introduction：Basic information about CAS 1453-58-3|3-Methylpyrazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methylpyrazole | ||
|---|---|---|---|
| CAS Number | 1453-58-3 | Molecular Weight | 82.104 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 204.0±0.0 °C at 760 mmHg |
| Molecular Formula | C4H6N2 | Melting Point | 36 - 37ºC |
| MSDS | ChineseUSA | Flash Point | 87.4±11.7 °C |
| Symbol | GHS05, GHS07, GHS08 | Signal Word | Danger |
Names
| Name | 3-Methylpyrazole |
|---|---|
| Synonym | More Synonyms |
3-Methylpyrazole BiologicalActivity
| Description | 3-Methylpyrazole is used as a nitrification inhibitor of nitrification in soil[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease |
| In Vitro | 3-Methylpyrazole could inhibit the metabolism of MAM by rat liver microsomes[2]. |
| References | [1]. G.W. McCarty, et al. Inhibition of nitrification in soil by heterocyclic nitrogen compounds. Biol Fertil Soils (1989) 8:204-211. [2]. Fiala ES, et al. Differential effects of 4-iodopyrazole and 3-methylpyrazole on the metabolic activation of methylazoxymethanol to a DNA methylating species by rat liver and rat colon mucosa in vivo. J Cancer Res Clin Oncol. 1987;113(2):145-50. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 204.0±0.0 °C at 760 mmHg |
| Melting Point | 36 - 37ºC |
| Molecular Formula | C4H6N2 |
| Molecular Weight | 82.104 |
| Flash Point | 87.4±11.7 °C |
| Exact Mass | 82.053101 |
| PSA | 28.68000 |
| LogP | 0.78 |
| Vapour Pressure | 0.4±0.3 mmHg at 25°C |
| Index of Refraction | 1.523 |
| InChIKey | XKVUYEYANWFIJX-UHFFFAOYSA-N |
| SMILES | Cc1ccn[nH]1 |
| Storage condition | Refrigerator |
| Water Solubility | miscible |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 710 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Cardiac - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),50,1988
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 719 mg/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),50,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 240 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - excitement Behavioral - ataxia
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(6),29,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 25,27,1962
Safety Information
| Symbol | GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314-H361 |
| Precautionary Statements | P201-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P308 + P313 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | UQ7340000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 29331990 |
Customs
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles6
More Articles| [Toxicological evaluation of a new nitrification inhibitor and its metabolite]. Gig. Sanit. (6) , 29-31, (1986) | |
| Differential effects of 4-iodopyrazole and 3-methylpyrazole on the metabolic activation of methylazoxymethanol to a DNA methylating species by rat liver and rat colon mucosa in vivo. J. Cancer Res. Clin. Oncol. 113(2) , 145-50, (1987) Using a hybrid ion-exchange reverse phase HPLC system, we found that F344 rat liver microsomes, in the presence of an NADPH-generating system, can metabolize methylazoxymethanol (MAM), a colon and liv... | |
| Extremely long protection by pyrazole derivatives against chemically induced gastric mucosal injury. J. Pharmacol. Exp. Ther. 256(2) , 592-8, (1991) We tested the hypothesis that the gastrotoxicity of ethanol and other damaging agents is influenced through the modulation of alcohol dehydrogenase (ADH) by using either the ADH-inhibitor pyrazole or ... |
Synonyms
| 3-Methyl-1H-pyrazole |
| EINECS 215-925-7 |
| 3-methyl-pyrazole |
| methyl pyrazol- |
| 1H-Pyrazole, 3-methyl- |
| 5-Methylpyrazole |
| 3-Methyl-1,2-diazole |
| 3-Methylpyrazole |
| Pyrazole,5-methyl |
| Pyrazole,3-methyl |
| 3-(5)-methylpyrazole |
| 3-methyl-pyrazol |
| pyrazolylmethane |
| MFCD00005240 |
| 5-methyl-pyrazol |
