HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Anthranilamid
2-AMINOBENZAMIDE · ATA · ANTHRANILIC ACID AMIDE · MGC74674 · DKFZp781A0353 · Anthranilamid · ANTHRANILAMIDE · O-AMINOBENZAMIDE
Identifikatoren & physikalische Daten
| CAS No. | 88-68-6 |
|---|---|
| Summenformel | C7H8N2O |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,06366288 g/mol |
| SMILES | NC(=O)c1ccccc1N |
| InChIKey | PXBFMLJZNCDSMP-UHFFFAOYSA-N |
| PubChem CID | 6942 |
| ChEMBL | CHEMBL43175 |
| ChEBI | CHEBI:193638 |
| EC No. | 201-851-2 |
| DTXSID | DTXSID2021789 |
| Lokaler Name | Anthranilamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| LogP (Verteilungskoeffizient) | log Kow = 0.350.32 |
| Color/Form | LEAFLETS FROM CHLOROFORM OR WATER |
| Löslichkeit | Soluble in ethanolvery soluble in ethyl ether, benzenevery soluble in ethyl acetate>20.4 [ug/mL] (The mean of the results at pH 7.4)<5g/lSoluble in hot water and alcohol. Slightly soluble in ether and benzene. Very soluble in ethyl acetate. |
| Siedepunkt | 300 °C |
| Schmelzpunkt | 110 °C (decomposes)109 - 111.5 °C111-113 °C (lit.) |
| Dampfdruck | 0.0000263 [mmHg]0.001Pa at 20℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Solid[HSDB] Light brown crystalline powder[Alfa Aesar MSDS] |
| Dichte | 1.1778 (rough estimate) |
| Brechungsindex | 1.5460 (estimate) |
| Flammpunkt | 198 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Crystalline Powder or Flakes |
| pKa (Säurekonstante) | 15.77±0.50(Predicted) |
| Farbe | Light brown to gray-brown |
| BRN | 508509 |
| Henry-Konstante | 1.3×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10) |
| InChIKey | PXBFMLJZNCDSMP-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccccc1N |
| LogP (Verteilungskoeffizient) | 0.76 at 25℃ |
| CAS Datenbank | 88-68-6(CAS DataBase Reference) |
| EPA chemische Informationen | Anthranilamide (88-68-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (43.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 243 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, 2-aminoStatus: Active Update: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/233492-Aminobenzamide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | One-generation reproduction feeding study of rats produced reduction in pup viability and weightsNo adverse effects noted to male or female reproductive organs[EPA TSCA] A skin and eye irritantToxic if ingested[Aldrich MSDS] An irritantMay induce methemoglobinemia[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (43.6%) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Ökotoxizitätswerte | LC50 Pimephales promelas (Fathead minnow, age 31 days, mean length 18.1 mm, mean weight 0.093 g) 395 mg/L/96 hr (95% confidence limit: 354-439 mg/L)flow through, 25.8 °C, pH 7.54, dissolved oxygen 7.2 mg/L, hardness 46.0 mg/L CaCO3, alkalinity 45.0 mg/L CaCO3 /98+% purity |
Anwendungen & Verwendung
Verwenden
Anthranilamide can be used as an acetyldehyde scavenger in PET bottles (US Patent, Coca-Cola). It can be used as an intermediate for dyes, pharmaceuticals, agricultural chemicals, perfumes, pigments, flavors and organo luminophores. It can be used in the manufacture of anthranilate esters and ion exchange resins. It can be used as a lacquer additive for food containers. It can be used as a modifier to improve drying of alkyd resins. It can also be used as an antioxidant for greases, lube oils and unsaturated rubbers.