2-Nitropropane
2-Nitropropane structure
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Common Name | 2-Nitropropane | ||
|---|---|---|---|---|
| CAS Number | 79-46-9 | Molecular Weight | 89.093 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 121.2±8.0 °C at 760 mmHg | |
| Molecular Formula | C3H7NO2 | Melting Point | -93 °C | |
| MSDS | Chinese USA | Flash Point | 37.2±0.0 °C | |
| Symbol |
GHS02, GHS06, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-nitropropane |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 121.2±8.0 °C at 760 mmHg |
| Melting Point | -93 °C |
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 89.093 |
| Flash Point | 37.2±0.0 °C |
| Exact Mass | 89.047676 |
| PSA | 45.82000 |
| LogP | 0.68 |
| Vapour density | ~3 (vs air) |
| Vapour Pressure | 14.7±0.2 mmHg at 25°C |
| Index of Refraction | 1.396 |
| InChIKey | FGLBSLMDCBOPQK-UHFFFAOYSA-N |
| SMILES | CC(C)[N+](=O)[O-] |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases, copper. |
| Water Solubility | 1.7 g/100 mL (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H302-H331-H341-H350-H412 |
| Precautionary Statements | P201-P261-P273-P281-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R10;R20/22;R45 |
| Safety Phrases | S53-S45 |
| RIDADR | UN 2608 3/PG 3 |
| WGK Germany | 3 |
| RTECS | TZ5250000 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 29042000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29042000 |
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This table lists relevant public references with title, journal and publication metadata for this compound.
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Affinity chromatographic selection of carbonylated proteins followed by identification of oxidation sites using tandem mass spectrometry.
Anal. Chem. 77(8) , 2386-92, (2005) It has been shown that oxidatively modified forms of proteins accumulate during oxidative stress, aging, and in some age-related diseases. One of the unique features of a wide variety of routes by whi... |
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Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 2. Patch test relationship to formaldehyde contact allergy, experimental provocation tests, amount of formaldehyde released, and assessment of risk to consumers allergic to formaldehyde.
Contact Dermatitis 62(1) , 18-31, (2010) This is the second part of an article on formaldehyde-releasers in cosmetics. The patch test relationship between the releasers in cosmetics to formaldehyde contact allergy is reviewed and it is asses... |
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Evaluation of carcinogenic responses in the Eker rat following short-term exposure to selected nephrotoxins and carcinogens.
Toxicol. Pathol. 30(5) , 559-64, (2002) This study examined the response of the Eker rat to nephrotoxic compounds and to genotoxic nonrenal carcinogens. Groups of male Eker rats received either no treatment; a vehicle treatment; treatment w... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| β-Nitropropane |
| 2-Nitropropane |
| 2-nitro-propane |
| 2-NP |
| Dimethylnitromethane |
| Propane,2-nitro |
| Nitroisopropane |
| Nipar S-20 |
| EINECS 201-209-1 |
| sec-Nitropropane |
| iso-Nitropropane |
| MFCD00007397 |
| Isonitropropane |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-nitropropane? |
| A: SMILES notation of 2-nitropropane is CC(C)[N+](=O)[O-]. |
| Q: What is the safety information for 2-nitropropane? |
| A: Safety information for 2-nitropropane: S53-S45. |
| Q: What is the boiling point of 2-nitropropane? |
| A: Boiling point of 2-nitropropane is 121.2±8.0 °C at 760 mmHg. |
| Q: How is the water solubility of 2-nitropropane? |
| A: Water solubility of 2-nitropropane: 1.7 g/100 mL (20 ºC). |
| Q: What is the melting point of 2-nitropropane? |
| A: Melting point of 2-nitropropane is -93 °C. |
| Q: What is the polar surface area (PSA) of 2-nitropropane? |
| A: Polar surface area (PSA) of 2-nitropropane is 45.82000. |
| Q: What is the LogP of 2-nitropropane? |
| A: LogP of 2-nitropropane is 0.68. |
| Q: What is the InChIKey of 2-nitropropane? |
| A: InChIKey of 2-nitropropane is FGLBSLMDCBOPQK-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-nitropropane? |
| A: CAS number of 2-nitropropane is 79-46-9. |
| Q: What English synonyms does 2-nitropropane have? |
| A: English synonyms of 2-nitropropane: β-Nitropropane, 2-Nitropropane, 2-nitro-propane, 2-NP, Dimethylnitromethane, Propane,2-nitro, Nitroisopropane, Nipar S-20, EINECS 201-209-1, sec-Nitropropane, iso-Nitropropane, MFCD00007397, Isonitropropane. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |