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60728-41-8

Basic Information
CAS No.: 60728-41-8
Name: 1-Methyl 2-aminoterephthalate
Molecular Structure:
Molecular Structure of 60728-41-8 (1-Methyl 2-aminoterephthalate)
Formula: C9H9 N O4
Molecular Weight: 195.175
Synonyms: 1-Methyl2-aminoterephthalate; 2-Aminoterephthalic acid 1-methyl ester;3-Amino-4-(methoxycarbonyl)benzoic acid
Density: 1.373±0.06 g/cm3(Predicted)
Melting Point: 217-220 ºC
Boiling Point: 394.9°C at 760 mmHg
Flash Point: 192.7°C
Hazard Symbols:
Risk Codes: R36/37/38   
PSA: 89.62000
LogP: 1.33480
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Chemistry

Molecular Structure of 1-Methyl 2-aminoterephthalate (CAS No.60728-41-8):

Molecular Formula: C9H9NO
Molecular Weight: 195.1721
CAS No: 60728-41-8
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.608
Molar Refractivity: 49.19 cm3
Molar Volume: 142.1 cm3
Surface Tension: 62.7 dyne/cm
Density: 1.373 g/cm3
Flash Point: 192.7 °C
Enthalpy of Vaporization: 68.03 kJ/mol
Boiling Point: 394.9 °C at 760 mmHg
Vapour Pressure: 6.03E-07 mmHg at 25°C
InChI: InChI=1/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKey: QKOKLMFCKLEFDV-UHFFFAOYAX
Std. InChI: InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
Std. InChIKey: QKOKLMFCKLEFDV-UHFFFAOYSA-N
Systematic Name: 3-Amino-4-(methoxycarbonyl)benzoic acid 
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides Salts;Phthalic Acids, Esters and Derivatives;C8 to C9;Carbonyl Compounds;Esters

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

  1-Methyl 2-aminoterephthalate (CAS No.60728-41-8), its synonyms are 1,4-Benzenedicarboxylic acid, 2-amino-, 1-methyl ester ; 3-Amino-4-(methoxycarbonyl)benzoic acid .