HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzohydrazid
BENZOHYDRAZIDE · BENZHYDRAZIDE · BENZOYLHYDRAZINE · BENZOIC HYDRAZIDE · BENZOYL HYDRAZIDE · BENZOIC ACID HYDRAZIDE · Benzohydrazine · BENZOIC HYDRAZINE
Identifikatoren & physikalische Daten
| CAS No. | 613-94-5 |
|---|---|
| Summenformel | C7H8N2O |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,06366288 g/mol |
| SMILES | NNC(=O)c1ccccc1 |
| InChIKey | WARCRYXKINZHGQ-UHFFFAOYSA-N |
| PubChem CID | 11955 |
| ChEMBL | CHEMBL125369 |
| ChEBI | CHEBI:38454 |
| EC No. | 210-363-9 |
| DTXSID | DTXSID6020149 |
| Lokaler Name | Benzohydrazid |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 119 |
| LogP (Verteilungskoeffizient) | log Kow = 0.19 |
| Color/Form | Plates from water |
| Löslichkeit | Sol in water and alcslightly sol in ether, acetone, chloroformDMSO (Slightly), Methanol (Slightly) |
| Siedepunkt | 267 °C (decomposes)250.42°C (rough estimate) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Schmelzpunkt | 115 °C112-114 °C (lit.) |
| Dampfdruck | 0.0000778 [mmHg]7.8X10-5 mm Hg at 25 °C /Estimated/ |
| Henry-Konstante | Henry's Law constant = 9.5X10-12 atm-cu m/mol at 25 °C /Estimated/ |
| Physical Description | SolidSoluble in water[HSDB] White crystalline powder[MSDSonline] |
| Dissociation Constants | pKa = 3.03 at 20 °C (conjugate acid) |
| Kovats Retention Index | 1205 |
| Other Experimental Properties | Violent reaction with benzeneselenic acid. When heated to decomposition emits toxic fumes of NOxHydroxyl radical reaction rate constant = 7.3X10-12 cu cm/molec-sec at 25 °C /Estimated/ |
| Dichte | 1.1778 (rough estimate) |
| Brechungsindex | 1.5460 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Needle-Like Crystals or Powder |
| pKa (Säurekonstante) | pK1: 3.03(+2)pK2: 12.45(+1) (25°C) |
| Farbe | White to beige |
| BRN | 471797 |
| InChI | InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10) |
| InChIKey | WARCRYXKINZHGQ-UHFFFAOYSA-N |
| SMILES | C(NN)(=O)C1=CC=CC=C1 |
| CAS Datenbank | 613-94-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, hydrazide(613-94-5) |
| EPA chemische Informationen | Benzoic acid, hydrazide (613-94-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (92.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (90.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (15.4%): Suspected of causing cancer [Warning Carcinogenicity]P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, 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 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Benzoic acid, hydrazide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | In animal experiments, causes somnolence and seizures after acute exposure and tumors after chronic exposure[RTECS] May cause liver injury[HSDB] An irritant[MSDSonline] See Hydrazine. |
| Hazard Classes and Categories | Acute Tox. 3 (82.7%)Skin Irrit. 2 (92.3%)Eye Irrit. 2 (90.4%)STOT SE 3 (86.5%)Carc. 2 (15.4%) |
| Hazardous Reactivities and Incompatibilities | Violent reaction with benzeneseleninic acid. |
| 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 quality |
Anwendungen & Verwendung
Beschreibung
Das Benzoesäurehydrazid bildet farblose, mäßig wasserlösliche Kristalle. Die Substanz besitzt nur wissenschaftliches Interesse.
Verwenden
Benzoyl Hydrazine is an acyl hydrazide as potent antioxidant.