HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dimethoxybenzolamin
AKOS BBS-00003627 · 4-AMINORESORCINOL · 4-DiMethoxyaniline · 2,4-DIMETHOXYANILINE · 2,4-dimethoxy-anilin · 2,4-Dimethoxyaniline C · 2,4-DIMETHOXY BENZAMINE · Aniline, 2,4-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 2735-04-8 |
|---|---|
| Summenformel | C8H11NO2 |
| Durchschnittliche Molmasse | 153,18 g/mol |
| Monoisotopische Masse | 153,07897859 g/mol |
| SMILES | COc1ccc(N)c(OC)c1 |
| InChIKey | GEQNZVKIDIPGCO-UHFFFAOYSA-N |
| PubChem CID | 17652 |
| ChEMBL | CHEMBL1622132 |
| EC No. | 220-355-7 |
| DTXSID | DTXSID7043829 |
| Lokaler Name | 2,4-Dimethoxybenzolamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Color/Form | PLATES FROM PETROLEUM ETHER |
| Löslichkeit | less than 1 mg/mL at 63 °F (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ETHER, ALC, BENZENE, HOT PETROLEUM ETHER7 g/L (20 ºC) |
| Schmelzpunkt | 92.3 °F (NTP, 1992)33.5 °C33-36 °C (lit.) |
| Physical Description | 2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)Black solid[CAMEO] Black solidmp = 34-37 deg C[MSDSonline] |
| Other Experimental Properties | UV: 6158 (Sadtler Research Laboratories Spectral Collection) /3,4-Dimethoxyaniline/ |
| Siedepunkt | 75-80 C |
| Dichte | 1.075 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.4640 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 5.14±0.10(Predicted) |
| Aggregatzustand | Crystalline Solid |
| Farbe | Dark brown |
| BRN | 638704 |
| Henry-Konstante | 1.6×101 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Stabilität | Stability Stable, but sensitive to prolonged exposure to light. Incompatible with acids. |
| InChI | 1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3 |
| InChIKey | GEQNZVKIDIPGCO-UHFFFAOYSA-N |
| SMILES | COc1ccc(N)c(OC)c1 |
| CAS Datenbank | 2735-04-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,4-dimethoxy-(2735-04-8) |
| EPA chemische Informationen | 2,4-Dimethoxyaniline (2735-04-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,4-dimethoxy-2,4-Dimethoxyaniline: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992) |
| Gefahrenübersicht | Emergency treatment: MethemoglobinemiaNo evidence of carcinogenicity in rats or mice[HSDB] A local irritant[CAMEO] An irritantMay induce methemoglobinemia[MSDSonline] |
| Reaktive Gruppe | Amines, Aromatic |
| Special Reports | DHEW/NCIBioassay of 2,4-Dimethoxyaniline hydrochloride for Possible Carcinogenicity (1979) Technical Rpt Series No. 171 DHEW Pub No. (NIH) 79-1727 |
| Reactivity Profile | 2,4-DIMETHOXYANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /2,4-Dimethoxyaniline hydrochloride/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=54150-69-5] |
| Non-Human Toxicity Excerpts | ... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: NegativeFemale Rats: NegativeMale Mice: NegativeFemale Mice: Negative. |
| National Toxicology Program Studies | A bioassay for the possible carcinogenicity of 2,4-dimethoxyaniline HCl was conducted using Fischer 344 rats and B6C3F1 mice. 2,4-Dimethoxyaniline HCl was admin in the feed, at either of two concn, to groups of 50 male and 50 female animals of each species. Twenty animals of each sex and species were placed on test as controls. The high and low dietary concn of 2,4-dimethoxyaniline HCl were, respectively, 3,000 and 1,500 ppm for rats and 5,000 and 2,500 ppm for mice. The cmpd was admin in the diet for 104 wk to rats and 103 wk to mice, followed by a l wk observation period for both species. ... Adequate numbers of animals in all groups survived sufficiently long to be at risk from late-developing tumors. ... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: NegativeFemale Rats: NegativeMale Mice: NegativeFemale Mice: Negative. |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29214200 |
| RTECS-Nr. | BX4200000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Toxizität | mouse,LD50,oral,1gm/kg (1000mg/kg),Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 2735-04-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Various 2,4-dimethoxyphenylsemicarbazones were synthesized starting from 2,4-dimethoxyaniline via a phenylcarbamate intermediate. The hydrochloride of 2,4-dimethoxyaniline was prepared by intro- ducing hydrogen chloride gas into an etheral solution and washing the precipitate with absolute diethyl ether.