Benzamide

Identifikatoren & physikalische Daten

CAS No.	1613-76-9
Summenformel	C7H7NO
Durchschnittliche Molmasse	121,14 g/mol
Monoisotopische Masse	121,05276384 g/mol
SMILES	NC(=O)c1ccccc1
InChIKey	KXDAEFPNCMNJSK-UHFFFAOYSA-N
PubChem CID	2331
ChEMBL	CHEMBL267373
ChEBI	CHEBI:28179
EC No.	200-227-7
DTXSID	DTXSID0021709

Chemische & physikalische Eigenschaften

XLogP	0,6
Polarare Oberfläche (TPSA)	43,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	105
Stoffklassen	Nitrogen Compounds -> Other Aromatics (Nitrogen)Industrial compound
SpringerMaterials Properties	Schoenflies notation
LogP (Verteilungskoeffizient)	log Kow= 0.640.8180.67
Dichte	1.0792 at 266 °F (NTP, 1992) - Denser than waterwill sink1.3411.341 @25 °C1.341 g/cm3
Color/Form	Colorless crystalsMonoclinic prisms or plates from water
Löslichkeit	less than 1 mg/mL at 72.5 °F (NTP, 1992)> 10% in benzene1 g in 6 ml ethanol1 g in 3.3 ml pyridineSoluble in ammoniaSlightyl soluble in ethyl ether, benzenevery soluble in ethyl alcohol, carbon tetrachloride, carbon disulfide.In water, 1.35X10+4 mg/l @ 25 °C
Siedepunkt	554 °F at 760 mmHg (NTP, 1992)288 °C290.00 °C. @ 760.00 mm Hg288 °C @760 [mm Hg]288°C
Decomposition	When heated to decomp it emits toxic fumes of /nitrogen oxides/.
Schmelzpunkt	270 to 271 °F (NTP, 1992)130 °C129.1 °C
Dampfdruck	0.000939 [mmHg]0.000165 [mm Hg]
Surface Tension	47.26 dyn/cm
Heat of Combustion	847.6 kcal/g mol wt @ 20 °C
pKa (Säurekonstante)	16.00±0.50(Predicted)
Farbe	Plates from H2O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 173 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: BenzamideBenzamide: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Brandgefahren	Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Brandpotenzial	Combustible
Gesundheitsgefahren	SYMPTOMS: This compound may produce gastric pain, nausea, and vomiting.
Gefahrenübersicht	A mutagen[RTECS] An irritantHarmful if swallowedOral LD50 (mouse) = 1160 mg/kg[MSDSonline]
Reaktive Gruppe	Amides and Imides
Reactivity Profile	BENZAMIDE reacts with azo and diazo compounds to generate toxic gases. Forms flammable gases with strong reducing agents. Mixing with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. Combustion generates toxic mixed oxides of nitrogen (NOx).
Luftstandards	This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Benzamide is produced, as an intermediate or a final product, by process units covered under this subpart.