HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Isopropylanilin
n-ipa · N-Isopropylani · ISO-PROPYLANILINE · N-isopropylanilin · N-ISOPROPYLANILINE · N-isopropy aniline · n-isopropyl-anilin · N-isoproyl aniline
Identifikatoren & physikalische Daten
| CAS No. | 768-52-5 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CC(C)Nc1ccccc1 |
| InChIKey | FRCFWPVMFJMNDP-UHFFFAOYSA-N |
| PubChem CID | 13032 |
| ChEMBL | CHEMBL1529910 |
| EC No. | 212-196-7 |
| DTXSID | DTXSID7025479 |
| Lokaler Name | N-Isopropylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| Stoffklassen | Nitrogen Compounds -> Amines, AromaticFlammable agents - 2nd degree |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Geruch | Sweet, aromatic odor. |
| Dichte | 0.93 at 60 °F (NIOSH, 2024) - Less dense than waterwill float0.9526 g/cu cmDensity (at 25 °C): 0.93 g/cm³(60 °F): 0.930.934 g/mL at 25 °C(lit.) |
| Color/Form | Yellowish liquidClear, yellowish liquid. |
| Löslichkeit | less than 0.1 mg/mL at 70 °F (NTP, 1992)Sol in alcohol, ether, acetone, benzeneSolubility in water: insolubleChloroform (Slightly), Methanol (Slightly)<0.01 g/100 mL at 21 ºC |
| Flammpunkt | 190 °F (NTP, 1992)87 °C190 °F (87.7 °C) (Cleveland Open Cup)82 °C c.c.190 °F (open cup)(oc) 190 °F185 °F |
| Siedepunkt | 397 to 399 °F at 760 mmHg (NTP, 1992)203 °C @ 760 mm Hg203-204 °C397 °F55 °C0.3 mm Hg(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Schmelzpunkt | -58 °F (NIOSH, 2024)-32 °C-32°C |
| Dampfdichte | Relative vapor density (air = 1): 4.7 |
| Dampfdruck | 0.03 mmHg at 77 °F (NIOSH, 2024)0.03 [mmHg]Vapor pressure, Pa at 25 °C: 40.03 mmHg at 77 °F(77 °F): 0.03 mmHg |
| Brechungsindex | n20/D 1.539(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 5.77(at 25℃) |
| Wichte | 0.94 |
| Farbe | Colorless to Orange to Green |
| BRN | 2205871 |
| Henry-Konstante | 1.3×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| CAS Datenbank | 768-52-5(CAS DataBase Reference) |
| NIST chemische Informationen | N-Isopropylaniline(768-52-5) |
| EPA chemische Informationen | N-Isopropylaniline (768-52-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, N-(1-methylethyl)-The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 82 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for N-Isopropylaniline: |
| Gefahrenübersicht | Like aniline and N,N-dimethylaniline, N-isopropylaniline can cause methemoglobinemia after skin and inhalation exposure in the workplace. [ACGIH] Can induce methemoglobinemiaMay cause skin sensitization[ICSC] |
| Reaktive Gruppe | Amines, Aromatic |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: III |
| TSCA-Anforderungen | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. N-Isopropylaniline is included on this list. |
Anwendungen & Verwendung
Verwenden
N-Isopropylaniline is a microbial metabolite of Propachlor (P757300), an acylanilide herbicide that is used to maintain crop protection from weeds. Propachlor is also known to induce Glutathione (G597951)-dependent cytotoxicity and sister chromatid exchanges in human cells.