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Basic Information
CAS No.: 59643-84-4
Name: o-propoxybenzamide
Molecular Structure:
Molecular Structure of 59643-84-4 (o-propoxybenzamide)
Formula: C10H13 N O2
Molecular Weight: 179.219
Synonyms: Benzamide,o-propoxy- (6CI,7CI); 2-Propoxybenzamide; Probenzamide; Propenzamide;Reuprosal; o-Propoxybenazamide
Density: 1.1248 (rough estimate)
Melting Point: 94-96°C
Boiling Point: 311.75°C (rough estimate)
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 52.32000
LogP: 2.27460
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Chemistry

Empirical Formula of 2-n-Propoxybenzamide (CAS NO.59643-84-4): C10H13NO2
Molecular Weight: 179.2157 g/mol
EINECS: 261-836-1 
Index of Refraction: 1.531
Density: 1.085 g/cm3
Flash Point: 152.4 °C
Enthalpy of Vaporization: 55.65 kJ/mol
Boiling Point: 315.3 °C at 760 mmHg
Vapour Pressure: 0.000442 mmHg at 25 °C
The structure of 2-n-Propoxybenzamide (CAS NO.59643-84-4):
                          
IUPAC Name: 2-Propoxybenzamide
Canonical SMILES: CCCOC1=CC=CC=C1C(=O)N
InChI: InChI=1S/C10H13NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKey: FAVIQMSTEFBUJX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:1260 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 4 (1952),872.
2.    

ipr-mus LD50:510 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 4 (1952),872.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition 2-n-Propoxybenzamide (CAS NO.59643-84-4) emits toxic fumes of NOx.

Specification

 2-n-Propoxybenzamide ,its cas register number is 59643-84-4. It also can be called o-Propoxybenzamide ; and Benzamide, o-propoxy- .