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29098-15-5

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Basic Information
CAS No.: 29098-15-5
Name: terofenamate
Article Data: 1
Molecular Structure:
Molecular Structure of 29098-15-5 (terofenamate)
Formula: C17H17 Cl2 N O3
Molecular Weight: 354.233
Synonyms: Anthranilicacid, N-(2,6-dichloro-m-tolyl)-, ethoxymethyl ester (8CI); Methanol, ethoxy-,N-(2,6-dichloro-m-tolyl)anthranilate (8CI); EthoxymethylN-(2,6-dichloro-m-tolyl)anthranilate; Etoclofene; Etofen;N-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester; Terofenamate
Density: 1.297g/cm3
Melting Point: 73-74°
Boiling Point: 439°C at 760 mmHg
Flash Point: 219.3°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. An analgesic and anti-inflammatory agent. See also ESTERS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 47.56000
LogP: 5.26920
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Chemistry

IUPAC Name: Ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate 
Synonyms of N-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester (CAS NO.29098-15-5): 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid ethoxymethyl ester ; Estere etossimetilico dell' acido N-(2,6-dicloro-m-tolil)antranilico ; Ethoxymethyl N-(2,6-dichloro-m-tolyl)anthranilate ; Etoclofene ; Etofen ; Terofenamate ; T erofenamatum ; Anthranilic acid, N-(2,6-dichloro-m-tolyl)-, ethoxymethyl ester ; Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, ethoxymethyl ester (9CI) ; M-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester
InChI: InChI=1/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3 
InChIKey: FRQSLQPWXFAJFO-UHFFFAOYAP 
Std. InChI: InChI=1S/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3
Std. InChIKey: FRQSLQPWXFAJFO-UHFFFAOYSA-N 
CAS NO: 29098-15-5   
Molecular Formula: C17H17Cl2NO3       
Molecular Weight: 354.2278          
Molecular Structure :
H bond acceptors:  4 
H bond donors:  1 
Freely Rotating Bonds:  7 
Polar Surface Area:  38.77 Å2 
Index of Refraction:  1.597 
Molar Refractivity:  93.02 cm3 
Molar Volume:  272.9 cm3 
Surface Tension:  46.8 dyne/cm 
Density:  1.297 g/cm3 
Flash Point:  219.3 °C 
Enthalpy of Vaporization:  69.59 kJ/mol 
Boiling Point:  439 °C at 760 mmHg 
Vapour Pressure:  6.6E-08 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) GASTROINTESTINAL: OTHER CHANGES Bollettino Chimico Farmaceutico. Vol. 115, Pg. 41, 1976.
mouse LD50 oral 918mg/kg (918mg/kg) GASTROINTESTINAL: OTHER CHANGES Bollettino Chimico Farmaceutico. Vol. 115, Pg. 41, 1976.
rat LD50 intraperitoneal 274mg/kg (274mg/kg) LUNGS, THORAX, OR RESPIRATION: COUGH Bollettino Chimico Farmaceutico. Vol. 115, Pg. 41, 1976.
rat LD50 oral 307mg/kg (307mg/kg) LUNGS, THORAX, OR RESPIRATION: COUGH Bollettino Chimico Farmaceutico. Vol. 115, Pg. 41, 1976.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. An analgesic and anti-inflammatory agent. See also ESTERS. When N-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester (CAS NO.29098-15-5) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.